共查询到20条相似文献,搜索用时 31 毫秒
1.
The splitting of potential energy curves for the states
$X^{2}\Pi _{3/2}$, $^{2}\Pi _{1/2}$ and $A^{2}\Sigma ^{ +}$ of
hydroxyl OH under spin--orbit coupling (SOC) has been calculated by
using the SO multi-configuration quasi-degenerate perturbation theory
(SO-MCQDPT). Their Murrell--Sorbie (M--S) potential functions have been
derived, then, the spectroscopic constants for $X^{2}\Pi _{3/2}$,$^{
2}\Pi _{1/2}$ and $A^{2}\Sigma ^{ + }$ have been derived from the
M--S function. The calculated dissociation energies for the three states are
$D_{0}$[OH($X^{2}\Pi _{3/2})$]=34966.632cm$^{-1}$,
$D_{0}$[OH($^{2}\Pi _{1/2})$]=34922.802cm$^{-1}$, and
$D_{0}$[OH($A^{2}\Sigma ^{ + })$]=17469.794cm$^{-1}$, respectively. The
vertical excitation energy $\nu [ {{ }^2\Pi _{1/2} ( {\nu = 0}
) \to {X}{ }^2\Pi _{3/2} ( {\nu = 0} )} ] =
139.6{\rm cm}^{-{\rm 1}}$. All the spectroscopic data for the
$X^{2}\Pi _{3/2}$ and $^{2}\Pi _{1/2 }$ are given for the
first time except the dissociation energy of $X^{2}\Pi _{3/2}$. 相似文献
2.
Density functional Theory (DFT) (B3p86) of Gaussian03 has been used to optimize the structure of Os2 molecule. The result shows that the ground state for Os2 molecule is 9-multiple state and its electronic configuration is ^9∑^+g, which shows spin polarization effect of Os2 molecule of transition metal elements for the first time. Meanwhile, we have not found any spin pollution because the wavefunction of the ground state does not mingle with wavefunctions with higher energy states. So, the fact that the ground state for Os2 molecule is a 9-multiple state is indicative of spin polarization effect of Os2 molecule of transition metal elements. That is, there exist 8 parallel spin electrons. The non-conjugated electron is greatest in number. These electrons occupy different spacious tracks, so that the energy of Os2 molecule is minimized. It can be concluded that the effect of parallel spin of Os2 molecule is larger than the effect of the conjugated molecule, which is obviously related to the effect of electron d delocalization. In addition, the Murrell-Sorbie potential functions with the parameters for the ground state ^9∑^+g and other states of Os2 molecule are derived. Dissociation energy De for the ground state of Os2 molecule is 3.3971eV, equilibrium bond length Re is 0.2403nm, vibration frequency ωe is 235.32cm^-1. Its force constants f2, f3, and f4 are 3.1032×10^2aJ·nm^-2, -14.3425×10^3aJ·nm^-3 and 50.5792×10^4aJ·nm^-4 respectively. The other spectroscopic data for the ground state of Os2 molecule ωexe, Be and ae are 0.4277cm^- 1, 0.0307cm^- 1 and 0.6491 × 10^-4cm^-1 respectively. 相似文献
3.
Potential energy curves and analytical potential energy functions of the metastable states of B2^++ 下载免费PDF全文
The multi-reference configuration interaction method and aug-cc-pvqz (AVQZ) have been used to calculate potential energy curves (PECs) of the singlet and triplet states of the riu and rig symmetry of B2++. All of the four states (^l∏u, ^1∏g, ^3∏u and ^3∏g) are found to be metastable states, though the potential well of ^3∏u symmetry is very shallow. Based on the PECs, the analytical potential energy functions (APEFs) of these states have been fitted using the least square fitting method and two models of function. The spectroscopic parameters of each state are also calculated, and are compared with other investigations in the literature. The credibility and veracity of the two functions are evaluated. Some ideas to improve the fitting accuracy are presented. Also the vibrational levels for each state are predicted by solving the SchrSdinger equation of nuclear motion. 相似文献
4.
本文采用多组态相互作用及Davidson修正方法和全电子基组计算了SH~-阴离子的X~1∑~+,a~3∏和A~1∏态的势能曲线、电偶极矩和跃迁偶极矩.计算的光谱常数与实验值及已有的理论值符合得很好.在计算中考虑了自旋-轨道耦合效应.计算得到a~3∏_1(v'=0)?X~1∑_(0+)~+(v"=0)和A~1∏_1(v'=0)?X~1Σ_(0+)~+(v"=0)跃迁具有高对角分布的弗兰克-康登因子,分别为0.9990和0.9999;计算得到a~3∏_1和A~1∏_1态的自发辐射寿命分别为1.472和0.188 ms.A~1∏_1?X~1∑_(0+)~+跃迁存在中间态a~3∏_(0+)和a~3∏_1,但中间态对激光冷却SH~-阴离子的影响可以忽略.分别利用a~3∏_1(v'=0)? X~1∑_(0+)~+(v"=0)和A~1∏_1(v'=0)? X~1∑_(0+)~+(v"=0)跃迁构建了准闭合的能级系统,冷却所需的激光波长分别为492.27和478.57 nm.最后预测了激光冷却SH~-阴离子能达到的多普勒温度和反冲温度.这些结果为进一步实验提供了理论参数. 相似文献
5.
Investigation of analytical harmonic frequency and potential energy function,vibrational levels for the X^2∑^+ and A^2Л states of CN radical 下载免费PDF全文
This paper calculates the equilibrium structure and the potential energy functions of the ground state (X^2∑^+) and the low lying excited electronic state (A^2Л) of CN radical are calculated by using CASSCF method. The potential energy curves are obtained by a least square fitting to the modified Murrell-Sorbie function. On the basis of physical theory of potential energy function, harmonic frequency (ωe) and other spectroscopic constants (ωeχe, βe and αe) are calculated by employing the Rydberg-Klei-Rees method. The theoretical calculation results are in excellent agreement with the experimental and other complicated theoretical calculation data. In addition, the eigenvalues of vibrational levels have been calculated by solving the radial one-dimensional SchrSdinger equation of nuclear motion using the algebraic method based on the analytical potential energy function. 相似文献
6.
Density functional theory (DFT) (B3p86) has been used to optimize the structure of the molecule Ta2. The result shows that the ground state of molecule Ta2 is a 7-multiple state and its electronic configuration is ^7∑u^+, which shows the spin polarization effect for molecule Ta2 of transition metal elements for the first time. Meanwhile, spin pollution has not been found because the wavefunction of the ground state does not mix with those of higher states. So, the fact that the ground state of molecule Ta2 is a 7-multiple state indicates a spin polarization effect of molecule Ta2 of the transition metal elements, i.e. there exist 6 parallel spin electrons and the non-conjugated electrons are greatest in number. These electrons occupy different space orbitals so that the energy of molecule Ta2 is minimized. It can be concluded that the effect of parallel spin of the molecule Ta2 is larger than the effect of the conjugated molecule, which is obviously related to the effect of d-electron delocalization. In addition, the Murrell-Sorbie potential functions with parameters for the ground state ^7∑u^+ and other states of the molecule Ta2 are derived. The dissociation energy De, equilibrium bond length Re and vibration frequency we for the ground state of molecule Ta2 are 4.5513eV, 0.2433nm and 173.06cm^-1, respectively. Its force constants f2, f3 and f4 are 1.5965×10^2aJ.nm^-2, -6.4722×10^3aJ·nm^-3 and 29.4851×10^4aJ·nm^-4, respectively. Other spectroscopic data we xe, Be and αe for the ground state of Ta2 are 0.2078cm^-1, 0.0315 cm^-1 and 0.7858×10^-4 cm^-1, respectively. 相似文献
7.
The fabrication of nickel silicide ohmic contacts to n-type 6H-silicon carbide 总被引:1,自引:0,他引:1 下载免费PDF全文
This paper reports that the nickel silicide ohmic contacts to n-type
6H-SiC have been fabricated. Transfer length method test patterns
with NiSi/SiC and NiSi硅化镍;欧姆触点;n型碳化硅;制造;能带;带隙 Project supported by the National Basic Research Program of China (Grant
No~2002CB311904), the
National Defense Basic Research Program of China (Grant No~51327010101) and
the National Natural Science Foundation of China (Grant No~60376001). 2006-09-192006-10-30 This paper reports that the nickel silicide ohmic contacts to n-type 6H-SiC have been fabricated. Transfer length method test patterns with NiSi/SiC and NiSi2/SiC structure axe formed on N-wells created by N^+ ion implantation into Si-faced p-type 6H-SiC epilayer respectively. NiSi and NiSi2 films are prepared by annealing the Ni and Si films separately deposited. A two-step annealing technology is performed for decreasing of oxidation problems occurred during high temperature processes. The specific contact resistance Pc of NiSi contact to n-type 6H-SiC as low as 1.78× 10^-6Ωcm^2 is achieved after a two-step annealing at 350 ℃for 20 min and 950℃ for 3 min in N2. And 3.84×10-6Ωcm^2 for NiSi2 contact is achieved. The result for sheet resistance Rsh of the N+ implanted layers is about 1210Ω/□. X-ray diffraction analysis shows the formation of nickel silicide phases at the metal/n-SiC interface after thermal annealing. The surfaces of the nickel silicide after thermal annealing are analysed by scanning electron microscope. 相似文献
8.
Judd--Ofelt analysis of spectra and experimental evaluation of laser performance of Tm3+ doped Lu2SiO5 crystal 下载免费PDF全文
This paper reports that the Tm^3+:Lu2SiO5 (Tm:LSO) crystal is grown by Czochralski technique. The roomtemperature absorption spectra of Tm:LSO crystal are measured on a b-cut sample with 4 at.% thulium. According to the obtained Judd-Ofelt intensity parameters Ω2=9.3155×10^-20 cm^2, Ω4=8.4103×10^-20 cm^2, Ω6=1.5908×10^-20 cm^2, the fluorescence lifetime is calculated to be 2.03 ms for ^3F4 → ^3H6 transition, and the integrated emission cross section is 5.81×10^-18 cm^2. Room-temperature laser action near 2μm under diode pumping is experimentally evaluated in Tm:LSO. An optical-optical conversion efficiency of 9.1% and a slope efficiency of 16.2% are obtained with continuouswave maximum output power of 0.67 W. The emission wavelengths of Tm:LSO laser are centred around 2.06μm with spectral bandwidth of -13.6 nm. 相似文献
9.
The comparison between single-point energy scanning (SPES) and geometry optimization (OPT) in determining the equilibrium geometry of the α^3∑u^+ state for ^7Li2 is made at numerous basis sets such as 6-311++G(2df), cc-PVTZ, 6-311++G(2df, p), 6-311G(3df,3pd), 6-311++G(2df,2pd), D95(3df,3pd), 6-311++G, DGDZVP, 6-311++G(3df,2pd), 6-311G(2df,2pd), D95V++, CEP-121G, 6-311++G(d,p), 6-311++G(2df, pd) and 6-311++G(3df,3pd) in full active space using a symmetry-adapted-cluster/ symmetry-adapted-cluster configuration-interaction (SAC/SAC=CI) method presented in Gaussian03 program package. The difference of the equilibrium geometries obtained by SPES and by OPT is reported. Analyses show that the results obtained by SPES are more reasonable than those obtained by OPT. We have calculated the complete potential energy curves at those sets over a wide internuclear distance range from about 3.0α0 to 37.0α0, and the conclusion is that the basis set cc-PVTZ is the most suitable one. With the potential obtained at ccopVTZ, the spectroscopic data (Te, De, D0, ωe,ωeХe, αe and Be) are computed and they are 1.006 eV, 338.71 cm^-1, 307.12 cm^-1, 64.88 cm^-1, 3.41 cm^-1, 0.0187 cm^-1 and 0.279 cm^-1, respectively, which are in good agreement with recent measurements. The total 11 vibrational states are found at J=0. Their corresponding vibrational levels and classical turning points are computed and compared with available RKR data, and good agreement is found. One inertial rotation constant (By) and six centrifugal distortion constants (Dr Hv, Lv, My, Nv, and Ov) are calculated. The scattering length is calculated to be -27.138α0, which is in good accord with the experimental data. 相似文献
10.
Yun-Guang Zhang 《中国物理 B》2022,31(5):53101-053101
Potential energy curves of the X$^{1}\Sigma ^{+}$ and A$^{1}\Pi $ states of the AlF molecule are studied through the combination of the multi-reference configuration interaction (MRCI) approach and Davidson corrections (MRCI$+$Q). The AWCV5Z basis set is employed in the calculations. The transition dipole moments (TDMs) of the A$^{1}\Pi \leftrightarrow {\rm X}^{1}\Sigma^{+}$ transition are explored based on the AWCV5Z basis set and (4, 2, 2, 0) active space. The Schrödinger equation is solved via the LEVEL 8.2 program, and the vibrational levels and rotational constants of the X$^{1}\Sigma^{+}$ and A$^{1}\Pi $ states are calculated. It is shown that the AlF molecule has high diagonal Franck-Condon factors ($f_{00}=0.9949$ and $f_{11}=0.9854$) and large Einstein coefficients for the transition of A$^{1}\Pi {(\nu }'=0)\leftrightarrow {\rm X}^{1}\Sigma^{+}{\rm (\nu }'=0)$. In addition, the radiative lifetimes of the vibrational levels are close to 10$^{-9}$ s for the A$^{1}\Pi $ state. The line intensities of the A$^{1}\Pi {\rm (\nu }'=4-15)\leftrightarrow {\rm X}^{1}\Sigma^{+}{\rm (\nu }'=0)$ transitions are also calculated. The calculated TDMs and transition probabilities in this work are credible and provide some guidance for the study of similar transitions, particularly for exploring interstellar space. 相似文献
11.
Ho^3+ : GdVO4 is a new laser material suitable for high-power laser systems. In this paper we measure the absorption spectra of Ho^3+ in the sample Ho^3+: GdVO4. The intensity parameters are calculated by using the Judd-Ofelt theory. Some predicted spectroscopic parameters, such as the spontaneous radiative transition rate, branching ratio and integrated emission cross section are dealt with. And we also compare the optical parameters with those of other materials. From these results, it is found that there are many transitions which have large oscillator strengths and large integrated emission cross sections. Especially the transitions such as ^5 F4 → ^5 I 8, ^5 S2→^5 I8, ^5 F5 → ^5 I8 and ^5 I7 →^ 5 I8 are useful in solid-state lasers and other fields. Finally, we discuss the splitting of the energy levels of Ho^3+ in the crystal GdVO4 based on the group theory. 相似文献
12.
Judd-Oflet analysis of spectrum and laser performance of Ho:YAP crystal end-pumped by 1.91μm Tm:YLF laser 下载免费PDF全文
The Ho:YAP crystal is grown by the Czochralski technique.The room temperature polarized absorption spectra of Ho:YAP crystal was measured on a c cut sample with 1 at% holmium.According to the obtained Judd-Ofelt intensity parameters Ω2 = 1.42 × 10-20 cm2,Ω4 = 2.92 × 10-20 cm2,and Ω6 = 1.71 × 10-20 cm2,this paper calculated the fluorescence lifetime to be 6 ms for 5I7 →5 I8 transition,and the integrated emission cross section to be 2.24×10-18 cm2.It investigates the room temperature Ho:YAP laser end pumped by a 1.91 μm Tm:YLF laser.The maximum output power was 4.1 W when the incident 1.91 μm pump power was 14.4 W.The slope efficiency is 40.8%,corresponding to an optical to optical conversion efficiency of 28.4%.The Ho:YAP output wavelength was centred at 2118 nm with full width at half maximum of about 0.8 nm. 相似文献
13.
A. Ehresmann W. Kielich L. Werner Ph. V. Demekhin D. V. Omel''yanenko V. L. Sukhorukov K.-H. Schartner H. Schmoranzer 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2007,45(2):235-246
Dispersed fluorescence from fragments formed after the de-excitation of the
1s-1π* resonances of N*O and NO* has been
measured in the spectral range of 118–142 nm. This range is dominated by
lines of atomic nitrogen and oxygen fragments and by the
bands in the NO+ ion which result from the participator Auger decay of the 1s-1π* resonances.
Ab-initio calculations of the transition probabilities between vibrational
levels during the reaction NO
N*O
⇒ NO
were used to explain the observed intensity dependence for the
fluorescence bands on the exciting-photon energy across
the resonances and on both v′ and v′′
vibrational quantum numbers. The multiplet structure of the 1s-1π* resonance and lifetime vibrational interference explain the observed exciting-photon energy dependence of the
fluorescence
intensity. A strong spin-orbit coupling between singlet and triplet states
of NO+ is proposed to reduce additional cascade population of the
state via radiative transitions from the
and
states and to explain
remaining differences between measured and calculated integral fluorescence
intensities. 相似文献
14.
Electron tunnelling phase time and dwell time through an associated delta potential barrier 下载免费PDF全文
The electron tunnelling phase time τP and dwell time τD through an associated delta potential barrier U(x) = ξδ(x) are calculated and both are in the order of 10^-17~10^-16s. The results show that the dependence of the phase time on the delta barrier parameter ξ can be described by the characteristic length lc = h^2/meξ and the characteristic energy Ec=meξ^2/h^2 of the delta barrier, where me is the electron mass, lc and Ec are assumed to be the effective width and height of the delta barrier with lcEc=ξ, respectively. It is found that TD reaches its maximum and τD = τp as the energy of the tunnelling electron is equal to Ec/2, i.e. as lc =λDB, λDB is de Broglie wave length of the electron. 相似文献
15.
The Ni/4H-SiC Schottky barrier diodes (SBDs) and transfer length
method (TLM) test patterns of Ni/4H-SiC Ohmic contacts were
fabricated, and irradiated with 1~MeV electrons up to a dose of
3.43× 1014~e/cm-2. After radiation, the forward
currents of the SBDs at 2~V decreased by about 50%, and the
reverse currents at -200~V increased by less than 30%. Schottky
barrier height (φ B ) of the Ni/4H-SiC SBD increased
from 1.20~eV to 1.21~eV under 0~V irradiation bias, and decreased
from 1.25~eV to 1.19~eV under -30~V irradiation bias. The
degradation of φ B could be explained by the variation
of interface states of Schottky contacts. The on-state resistance
(Rs) and the reverse current increased with the dose, which
can be ascribed to the radiation defects in bulk material. The
specific contact resistance (\rhoc) of the Ni/SiC Ohmic
contact increased from 5.11× 105~Ωega.cm2 to 2.97× 10-4~Ωega.cm2. 相似文献
16.
L. Pereira A. Morozov M. M. Fraga T. Heindl R. Krücken J. Wieser A. Ulrich 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2010,56(3):325-334
The temperature dependences of the quenching rate constants of the states
N2 (${\rm C} \ {^{3}{
\rm \Pi }_{u}}${\rm C} \ {^{3}{
\rm \Pi }_{u}} v′=0,1) by N2 (X) and of the state
N2 (${\rm C} \ {^{3}{
\rm \Pi }_{u}} \ v^{\prime}=0${\rm C} \ {^{3}{
\rm \Pi }_{u}} \ v^{\prime}=0) by O2 (X) are studied.
Time-resolved light emission from the gas was analyzed in the temperature
range from 300 K to 210 K keeping the gas at constant density. In case of
quenching by N2 (X), the quenching rate constant for the vibrational
level v′= 0 increases by (13 ±3)% with gas cooling whereas the
quenching rate constant for v′= 1 decreases by (5.0 ±2.5)% in this
temperature range. For quenching by O2 (X), the quenching rate constant
decreases by (3 ±2)% with gas cooling. The temperature variation of
the N2 (C 3Πu v′=0) emission intensity for pure nitrogen
and dry air are calculated using the obtained quenching rate constants and
is compared with the experimental data available in the literature. 相似文献
17.
An interaction potential for an N2(X1σg+) molecule is constructed by using the highly accurate
valence internally contracted multireference configuration
interaction method and the largest basis set, aug-cc-pV6Z, in the
valence range. The potential is used to investigate the elastic
scattering of two N atoms at energies from 1.0× 10-11
to 1.0× 10-4 a.u. The derived total elastic cross
sections are very large and almost constant at ultralow
temperatures, and the shape of total elastic cross section curve is
mainly dominated by the s-partial wave at very low collision
energies. Three shape resonances are found in the total elastic
cross sections. Concretely, the first one is very sharp and strong.
It results from the g-partial-wave contribution and the resonant
energy is 3.645× 10-6 a.u. The second one is contributed
by the h-partial wave and the resonant energy is 1.752× 10-5 a.u. This resonance is broadened by those from the d- and
f-partial waves. The third one comes from the l = 6 partial wave
contribution and the resonant energy is 3.522× 10-5 a.u.
This resonance is broadened by those from the g- and h-partial
waves. The N2(X1σg+) molecular
parameters, which are determined at the current theoretical level,
achieve very high accuracy due to the employment of the largest
correlation-consistent basis set in the valence range. 相似文献
18.
Guiding of 150 keV O6+ ions through nanocapillaries in an uncoated Al2O3 membrane: special time dependence of the transmission profile width 下载免费PDF全文
<正>This paper reports that the transmission of O6+ ions with energy of 150keV through capillaries in an uncoated Al2O3 membrane was measured,and agreements with previously reported results in general angular distribution of the transmitted ions and the transmission fractions as a function of the tilt angle well fitted to Gaussian-like functions were observed.Due to using an uncoated capillary membrane,ourψc is larger than that using a gold-coated one with a smaller value of(?),which suggests a larger equilibrium charge Q∞in our experiment.The observed special width variation with time and a larger width than that using a smaller(?) were qualitatively explained by using mean-field classical transport theory based on a classical-trajectory Monte Carlo simulation. 相似文献
19.
We report the constraints of $H_0$ obtained from Wilkinson Microwave Anisotropy Probe (WMAP) 9-year data combined with the latest baryonic acoustic oscillations (BAO) measurements. We use the BAO measurements from 6dF Galaxy Survey (6dFGS), the SDSS DR7 main galaxies sample (MGS), the BOSS DR12 galaxies, and the eBOSS DR14 quasars. Adding the recent BAO measurements to the cosmic microwave background (CMB) data from WMAP, we constrain cosmological parameters $\Omega_m=0.298\pm0.005$, $H_0=68.36^{+0.53}_{-0.52} {\rm km}\cdot {\rm s}^{-1}\cdot {\rm Mpc}^{-1}$, $\sigma_8=0.8170^{+0.0159}_{-0.0175}$ in a spatially flat $\Lambda$ cold dark matter ($\Lambda$CDM) model, and $\Omega_m=0.302\pm0.008$, $H_0=67.63\pm1.30 {\rm km}\cdot{\rm s}^{-1}\cdot {\rm Mpc}^{-1}$, $\sigma_8=0.7988^{+0.0345}_{-0.0338}$ in a spatially flat $w$CDM model, respectively. Our measured $H_0$ results prefer a value lower than 70 ${\rm km}\cdot {\rm s}^{-1}\cdot{\rm Mpc}^{-1}$, consistent with the recent data on CMB constraints from Planck (2018), but in $3.1$ and $3.5\sigma$ tension with local measurements of SH0ES (2018) in $\Lambda$CDM and $w$CDM framework, respectively. Our results indicate that there is a systematic tension on the Hubble constant between SH0ES and the combination of CMB and BAO datasets. 相似文献
20.
The density functional theory (DFT)(b3p86) of Gaussian 03 has been
used to optimize the structure of the Co$_{2}$ molecule, a transition
metal element molecule. The result shows that the ground state for
the Co$_{2}$ molecule is a 7-multiple state, indicating a spin
polarization effect in the Co$_{2}$ molecule. Meanwhile, we have not
found any spin pollution because the wavefunction of the ground state
is not mingled with wavefunctions of higher-energy states. So for the
ground state of Co$_{2}$ molecule to be a 7-multiple state is the
indicative of spin polarization effect of the Co$_{2}$ molecule, that
is, there exist 6 parallel spin electrons in a Co$_{2}$ molecule. The
number of non-conjugated electrons is the greatest. These electrons
occupy different spacial orbitals so that the energy of the Co$_{2}$
molecule is minimized. It can be concluded that the effect of
parallel spin in the Co$_{2}$ molecule is larger than the effect of
the conjugated molecule, which is obviously related to the effect of
electron d delocalization. In addition, the Murrell--Sorbie potential
functions with the parameters for the ground state and the other
states of the Co$_{2}$ molecule are derived. The dissociation energy
$De$ for the ground state of Co$_{2}$ molecule is 4.0489eV,
equilibrium bond length $R_{\rm e}$ is 0.2061~nm, and vibration
frequency $\omega _\e $ is 378.13~cm$^{ - 1}$. Its diatomic molecule
force constants $f_2$, $f_3$, and $f_4$ are 2.4824~aJ$\cdot$nm$^{ -
2}$, -7.3451~aJ$\cdot$nm$^{ - 3}$, and 11.2222~aJ$\cdot$nm$^{ - 4
}$respectively(1~aJ=$10^{-18}$~J). The other spectroscopic data for
the ground state of Co$_{2}$ molecule $\omega_{\e}\chi _{\e}$,
$B_{\e}$, and $\alpha_{\e}$ are 0.7202~cm$^{-1}$, 0.1347~cm$^{-1 }$,
and 2.9120$\times $ 10$^{-1}$~cm$^{-1}$ respectively. And
$\omega_{\e}\chi _{\e}$ is the non-syntonic part of frequency,
$B_{\e}$ is the rotational constant, $\alpha_{\e}$ is revised
constant of rotational constant for non-rigid part of Co$_2$
molecule. 相似文献