Why are formaldehyde and (possibly) propynal nonplanar in their S1(π1, n) electronic states?

Abnormally low frequencies observed for the out-of-plane vibration (b₁) of the $\text{A}\text{?}{}^1\text{A}{}_2$ electronic state of formaldehyde (H₂CO) and for the analogous carbonyl hydrogen vibration (a″) of $\text{A}\text{?}{}^1\text{A″}$ propynal (HCCCHO) are modeled by means of two-state calculations of vibronic coupling with higher singlet states, ¹B₂ and ¹A′, respectively. In each case, the active vibration is the out-of-plane hydrogen motion. The same vibronic calculations reproduce also the large positive anharmonicities of the active vibrations in the $\text{A}\text{?}\text{(π}{}^1\text{, n)}$ states; for H₂CO the calculated vibrational spacing alternates as observed, consistent with the known nonplanar structure, while in propynal the calculated spacing increases regularly, thus predicting an effectively planar structure. The nonplanarity of H₂CO is caused mainly by a vibronic coupling constant nearly twice that of propynal. The H₂CO coupling constant is near the value estimated independently by means of the intensity “borrowed” by the S₁-S₀ transition from the much stronger S₂-S₀ transition. Brief consideration is given to analogous vibrational levels of the ¹A₂ state of H₂CS and of the ³A₂ state of D₂CO in the vibronic context of this paper.     

Thermochemistry of azide salts and the azide ion using direct minimisation equations to obtain the lattice energy of the univalent azide salts

The opportunity to test a new equation for the computation of the lattice energy and at the same time examine a disparity in the literature data for the enthalpy of formation of the azide ion, $\text{ΔH}{}^{\mathrm{\theta }}{}_{\mathrm{?}}\text{(}\text{N}{}_3{}^{\mathrm{?}}\text{) (}\text{g}\text{)}$ was the motivation for this study. The results confirm our earlier calculation and show the new equation to be reliable. Thermodynamic data produced in the study take values: $\text{ΔH}{}^{\mathrm{\theta }}{}_{\mathrm{?}}\text{(}\text{N}{}_3{}^{\mathrm{?}}\text{)(}\text{g}\text{) = 144}\text{kJ mor}{}^{\mathrm{?1}}$ΔH^θ_hyd(N₃^?) = ?315 KJ mol^?1 or ΔH^θ_hyd(N₃^?) = ?295 KJ mol^?1U_POT(NaN₃) = 732 kJ mol^?1U_POT(KN₃) = 659 kJ mol^?1U_POT(RbN₃) = 637 kJ mol^?1U_POT(CsN₃) = 612 kJ mol^?1U_POT(TIN₃) = 689 kJ mol^?1. The lattice energies of azides whose enthalpies of formation are documented have been calculated as well as the enthalpy of formation of the azide radical.     

Preliminary evidence for UA(1) breaking in QCD from lattice calculations

We suggest a simple definition of the topological charge density Q(x) in the lattice Yang-Mills theory and evaluate A≡∝d⁴x〈Q(x)Q(0)〉 in SU(2) by Monte Carlo simulation. The “data” interpolate well between the strong and weak coupling expansions, which we compute to order g^?12 and g⁶, respectively. After subtraction of the perturbative tail, our points exhibit the expected asymptotic freedom behaviour giving $\text{A}{}^{\mathrm{<mtext>1</mtext><mtext>4</mtext>}}\text{≌(0.11±0.02)K}{}^{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}$, K being the SU(2) quarkless string tension. Although a larger value for $\text{A}{}^{\mathrm{<mtext>1</mtext><mtext>4</mtext>}}\text{K}{}^{\mathrm{<mtext>?</mtext><mtext>1</mtext><mtext>2</mtext>}}$ would be preferable, we are led to conclude (at least tentatively) that the U_A(1) problem of QCD is indeed solved perturbatively in the quark loop expansion.     

Subject index for volume 88

The emission and excitation spectra of the aromatic thioketone xanthione have been measured in Shpolskii matrices at 15 K. Under these conditions a sharp and rich vibrational structure is observed in the lowest triplet and the first and second excited singlet states. The phosphorescence excitation spectrum places the origin of the T₁ ← S₀ transition at 15 143 cm^?1, while that of the $\text{S}{}_1\text{(n, π}{}^1\text{) ← S}{}_0$ absorption is tentatively assigned to the band at 16 093 cm^?1. The phosphorescence spectrum, which shows only a weak CS stretch vibrational band, is dominated by ring vibrations. In accordance with the previous analysis of ODMR measurements, it is suggested that T₁ and T₂ states are energetically very close, thereby resulting in a lowest triplet state of heavily mixed n, $\text{π}{}^1\text{-π}$, $\text{π}{}^1$ character. No mirror-image relationship is found between the relatively strong S₂ → S₀ fluorescence and the excitation spectrum of the $\text{S}{}_2\text{(π, π}{}^1\text{) ← S}{}_0$ transition. The latter is dominated by a long, pronounced 336-cm^?1 progression.     

The external field problem for QCD

In lattice gauge theory, many computations such as the strong coupling expansions, mean field theory, or the few plaquette models require the evaluation of the one-link integral in the presence of an arbitrary N × N complex matrix source (J). For SU(N) gauge theories, we express our general solution to the external field problem as an integral over the maximal abelian subgroup [U(1)]^N?1

where S₀ = 2Σ_kz_k cos(φ_k ? θ), z_j are eigenvalues of √JJ⁺, e^2iNθ=detJ/detJ⁺, and G is an appropriate jacobian determinant. Our explicit solution follows from differential Schwinger-Dyson equations cast in a separable form by using fermionic variables, and the special cases of N = 2, 3 and ∞ agree with earlier derivations.     

Decomposable operators application to K.M.S. weights in a decomposable von Neumann algebra

Let $\text{U}\text{=}\text{?}\text{⊕}\text{U}\text{(ξ) dμ(ξ)}$be a decomposable von Neumann algebra, ? a faithful strictly semi-finite weight on $\text{U}$, σ^?_! the modular automorphism group associated with ?; if $\text{U}$ admits a cyclic and separating vector (or if π_?($\text{U}$)′ is countably decomposable, (π_?, H_?) being the representation of $\text{U}$, given by ?), then we get $\text{?=}\text{?}\text{⊕}\text{?ξ dμ(ξ)}$ (the ?ξ being faithful strictly semi-finite weights) and $\text{σ}{}^{\mathrm{?}}{}_{\mathrm{!}}\text{=}\text{?}\text{?}\text{σ}{}^{\mathrm{?}}{}_{\mathrm{!}}\text{dμ(ξ)}$ (σ^?_! is the modular automorphism group in $\text{U}$(ξ), associated with ?).These results are obtained by developing the functional calculus for decomposable operators. More precisely, let $\text{Δ=}\text{?}\text{⊕}\text{Δ(ξ)dμ(ξ)}$ be a Hermitian (bounded) decomposable operators, and f a complex essentially bounded function on R; then $\text{f(Δ) =}\text{?}\text{?}\text{f(Δ(ξ))dμ(ξ)}$.Extensions of these results are given for nonessentially bounded measurable fields of bounded operators and for unbounded self-adjoint operators commuting with diagonalizable operators.     

Scaling laws for inelastic partial-wave amplitudes and the high-energy behaviour of multiparticle production

t-channel unitarity equations are derived for n-particle overlap functions. Together with s-channel unitarity they lead to scaling laws for the inelastic s-channel partial-wave amplitudes $\text{?}{}_{\mathrm{l}}{}^{\mathrm{(n)}}\text{(s)}$ in the limits $\text{s → ∞, l → ∞ x = l (}\text{μ}\text{√s}\text{)}{}^3\text{=}\text{fixed}$. Assuming the validity of the scaling law in the whole range, allowed by s-channel unitarity — i.e. for $\text{l > L (s) = (α(4μ}{}^2\text{) ? 1) (}\text{s}\text{4μ}\text{)}\text{log}\text{(}\text{s}\text{s}{}_1\text{)}$ we obtain constant production cross sections σ⁽ⁿ⁾(s) at high energies s → ∞ up to s factors.     

Interference effects in 12C(p, γ)13N and direct capture to unbound states

Excitation functions of the capture reaction ¹²C(p, γ₀)¹³N have been obtained at θ_γ = 0° and 90° and E_p = 150–2500 keV. The results can be explained if a direct radiative capture process, E1(s and d → p), to the ground state in ¹³N is included in the analysis in addition to the two well-known resonances in this beam energy range $\text{[E}{}_{\mathrm{p}}\text{= 457(}\text{1}\text{2}{}^{\mathrm{+}}\text{)}$ and 1699 $\text{(}\text{3}\text{2}{}^{\mathrm{?}}\text{) keV]}$. The direct capture component is enhanced through interference effects with the two resonance amplitudes. From the observed direct capture cross section, a spectroscopic factor of C²S(l = 1) = 0.49 ± 0.15 has been deduced for the $\text{1}\text{2}{}^{\mathrm{?}}$ ground state in ¹³N. Excitation functions for the reaction ${}^{12}\text{C(p,γ}{}_1\text{p}{}^1\text{)}{}^{12}\text{C}$ have been obtained at θ_γ = 0° and 90° and E_p = 610–2700 keV. Away from the 1699 keV resonance the capture γ-ray yield is dominated by the direct capture process E1 (p → s) to the $\text{2366 (}\text{1}\text{2}{}^{\mathrm{+}}\text{) keV}$ unbound state. Above E_p = 1 MeV, the observed excitation functions are well reproduced by the direct capture theory to unbound states (bremsstrahlung theory). Below E_p = 1 MeV, i.e., E_p → 457 keV, the theory diverges in contrast to observation. This discrepancy is well known in bremsstrahlung theory as the “infrared problem”. From the observed direct capture cross sections at $\text{E}{}_{\mathrm{p}}\text{? 1 MeV}$, a spectroscopic factor of C²S(l = 0) = 1.02 ± 0.15 has been found for the $\text{2366 (}\text{1}\text{2}{}^{\mathrm{+}}\text{) keV}$ unbound state. A search for direct capture transitions to the $\text{3512 (}\text{3}\text{2}{}^{\mathrm{?}}\text{)}$and $\text{3547 (}\text{5}\text{2}{}^{\mathrm{+}}\text{) keV}$ unbound states resulted in upper limits of C²S(l = 1) ≦ 0.5 and C²S(l = 2) ? 1.0, respectively. The results are compared with available stripping data as well as shell-model calculations. The astrophysical aspect of the ¹²C(p, γ₀)¹³N reaction also is discussed.     

Extending the QCD leading logs up to reggeon field theory

The deep inelastic structure function D(ω, q²) is calculated in the leading log approximation for $\text{(}\text{Nβ}{}_2\text{π}{}^2\text{)α}{}^2{}_{\mathrm{<mtext>S</mtext>}}\text{(q}{}_0{}^2\text{) 1}\text{n}\text{ω < 0.84 1}\text{n}\text{(}\text{1}\text{α}{}_{\mathrm{<mtext>S</mtext>}}\text{(q}{}^2\text{))}$. For larger ω up to ( the influence of reggeon cuts proves to slow down the growth of the structure function. A reggeon diagram technique is developed, and D is calculated up to a pre-exponent O(1), leading to D(ω, q²) ∝ q² for $\text{(}\text{Nβ}{}_2\text{π}{}^2\text{)α}{}^2{}_{\mathrm{<mtext>S</mtext>}}\text{(q}{}^2{}_0\text{) 1}\text{n}\text{ω ? 0.42}\text{α}{}^2{}_{\mathrm{<mtext>S</mtext>}}\text{(q}{}_0{}^2\text{)}\text{α}{}_{\mathrm{<mtext>S</mtext>}}{}^2\text{(q}{}^2\text{)}$. By assuming the reggeon diagrams when ω is still greater, one can expect to obtain a strong coupling behaviour: D(ω, q²) ∝ q²(ln ω)^η (η <2).     

The spectrum of HeNe+

Discharges through mixtures of helium and neon show two band groups near 4250 and 4100 Å as first observed by Druyvesteyn. These bands, assigned to the HeNe⁺ ion by Tanaka, Yoshino, and Freeman, have been studied under high resolution and have been fairly completely analyzed. The upper state of the transition is a very weakly bound state resulting from $\text{He}{}^{\mathrm{+}}\text{(}{}^2\text{S) +}\text{Ne}\text{(}{}^1\text{S}{}_0\text{)}$. There are two lower states resulting from the two components of $\text{Ne}{}^{\mathrm{+}}\text{(}{}^2\text{P) +}\text{He}\text{(}{}^1\text{S}{}_0\text{)}$. The upper of these two (${}^2\text{Π}{}_{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}$) is also very weakly bound while the lower of the two, the ²Σ⁺ ground state, has a dissociation energy of 0.69 eV and an r_e value of 1.30 Å. All bands in both band groups show four branches designated R_ff, Q_ef, Q_fe, and P_ee. From their analysis the rotational constants in the various vibrational levels of the three electronic states have been determined. While no spin splitting in the B²Σ⁺ state has been found the ground state X²Σ shows a very large spin splitting and the $\text{A}{}_2{}^2\text{Π}{}_{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}$ state a very large $\text{Ω-type}$ doubling. The vibrational numberings in all these states were established by the study of the spectrum of ³HeNe⁺. At the same time the hyperfine structure observed in all lines of ³HeNe⁺ confirmed the nature of the upper state B²Σ⁺ as resulting from He⁺ + Ne, i.e., by charge exchange from the ground state. The ${}^2\text{Π}{}_{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}$ component of the ²Π state has not been observed, presumably because of low intensity.     

Jahn-Teller analysis of the 3T1(P) absorption band of Ni2+ in GaP

Comparison between experimental absorption due to the ${}^3\text{T}{}_1\text{(F)?}{}^3\text{T}{}_1\text{(P)}$ transition of substitutional Ni²⁺(d⁸) in GaP and theoretical predictions based on the Jahn-Teller model is presented. Numerical solution of the Hamiltonian, in which spin-orbit interaction and T₂-mode Jahn-Teller coupling are included, is in very good agreement with the energy position and intensities of the observed absorption lines.     

Nuclear orientation study of the excited states of 129I populated in the decay of 129gTe and 129mTe

From the angular distributions of γ-rays emitted by oriented ^129gTe and ^129mTe nuclei implanted in iron by isotope separator, unique spin assignments could be made for the excited states of ¹²⁹I at 487.4 keV $\text{(}\text{5}\text{2}{}^{\mathrm{+}}\text{)}$, 696.0 keV $\text{(}\text{11}\text{2}{}^{\mathrm{+}}\text{)}$, 729.6 keV $\text{(}\text{9}\text{2}{}^{\mathrm{+}}\text{)}$, 768.9 keV $\text{(}\text{7}\text{2}{}^{\mathrm{+}}\text{)}$, 1050.4 keV $\text{(}\text{7}\text{2}{}^{\mathrm{+}}\text{)}$ and 1111.8 keV $\text{(}\text{5}\text{2}{}^{\mathrm{+}}\text{)}$. In addition, E2/M1 amplitude ratios for the following ¹²⁹I γ-rays (energies are in keV) are derived: δ(459.6) = ?(0.076^+0.037_?0.148); δ(487.4) = 0.50^+0.17_?0.10 or δ^? = 0.35^+0.15_?0.09; δ(556.7) = 0.06±0.02 or δ^? = ?(0.10±0.02); δ(624.4) = 0.10±0.26 or δ^? > 0.4; the 696.0 keV γ-ray is pure E2; δ(729.6) = ?(0.34±0.06) or δ^?1 = 0.55±0.05; δ(741.1) = ?(0.27±0.10) or δ^?1 = ?(0.43±0.12); δ(817.2) = 0.46±0.04 or δ^?1 =0.20±0.03 if $\text{I}{}^{\mathrm{\pi }}\text{(845}\text{keV}\text{) =}\text{7}\text{2}{}^{\mathrm{+}}$; δ(1022.6) = ?(0.02 ±0.02) or δ^?1 = ?(0.23±0.02); $\text{δ(1084) = 0.56}{}^{\mathrm{+0.04}}{}_{\mathrm{?0.14}}$; δ(1111.8) = 0.06±0.05 or δ^?1 = ?(0.08±0.05). The anisotropy of the 531.8 keV γ-ray excludes $\text{1}\text{2}{}^{\mathrm{+}}$ as a possible spin assignment for the 559.6 keV level, so that no $\text{1}\text{2}{}^{\mathrm{+}}$ level is fed in the decay from ¹²⁹Te. Anisotropies for the 209, 250.7, 278.4 and 281.1 keV γ-rays are also measured. Comparison of the level scheme is made with theoretical predictions from both the pairing-plus-quadrupole model and the intermediate coupling unified model.     

Chemical diffusion in nonstoichiometric chromium sulfide,Cr2+yS3

Using the re-equilibration kinetic method the chemical diffusion coefficient in nonstoichiometric chromium sesquisulfide, Cr_2+yS₃, has been determined as a function of temperature (1073–1373 K) and sulphur vapour pressure (10?10⁴ Pa). It has been found that this coefficient is independent of sulphur pressure and can be described by the following empirical equation: $\text{D}\text{?}\text{Cr}{}_{\mathrm{2+y}}\text{S}{}_3\text{=50.86}\text{exp(-39070 cal/mole/}\text{RT)}\text{(cm}{}^2\text{s}{}^{\mathrm{?1)}}$. It has been shown that the mobility of the point defects inCr_2+yS₃ is independent of their concentration and that the self-diffusion coefficient of chromium in this sulfide has the following function of temperature and sulphur pressure: . (cm²s^?1).     

Spin determination of states with stretched configurations in 16N and 32P via the (d, α) reaction at 52 MeV

The reactions ${}^{12}\text{C}\text{(}\text{d}\text{, α)}{}^{10}\text{B}\text{,}{}^{18}\text{O}\text{(}\text{d}\text{, α)}{}^{16}\text{N and}{}^{34}\text{S}\text{(}\text{d}\text{, α)}{}^{32}\text{P}$ have been investigated at E_d = 52 MeV. Vector analyzing powers as large as $\text{¦iT}{}_{11}\text{¦=0.85}$ are observed. They exhibit patterns characteristic for final spins I = |L?1|, L or L + 1 and provide spin determinations at least for states of unique L-transfer. Local, zero-range DWBA calculations assuming deuteron-cluster pick-up reproduce qualitatively the observed effects. The method has been tested for states of known spin, and then has been applied to determine spins of states with stretched coupling in ¹⁶N: J^π = 3⁺(3.96 MeV), 4^?(6.17 MeV) and in ³²P: J^π = 5⁺(4.75 MeV). There is strong evidence for further 5⁺ states in ³²P at 6.43, 7.96, 8.09 and 8.54 MeV.     

Transverse spin correlation function of the one-dimensional spin-12 XY model

The transverse spin pair correlation function p^x_n=<S^x_mS^x_m+n>=<S^x_mS^x_m+n> is calculated exactly in the thermodynamic limit of the system described by the one-dimensional, isotropic, spin-$\text{1}\text{2}$, XY Hamiltonian

$\text{H=?2J}\text{∑}\text{l=1}\text{N}\text{(S}{}^{\mathrm{x}}{}_{\mathrm{l}}\text{S}{}^{\mathrm{x}}{}_{\mathrm{l+1}}\text{+S}{}^{\mathrm{y}}{}_{\mathrm{l}}\text{S}{}^{\mathrm{y}}{}_{\mathrm{l+1}}\text{)}$

. It is found that at absolute zero temperature (T = 0), the correlation function ρ^x_n for n ≥ 0 is given by

$\text{ρ}{}^{\mathrm{x}}{}_{\mathrm{2p}}\text{=}\text{1}\text{4}\text{2}\text{π}{}^{\mathrm{2p}}\text{Π}\text{j=1}\text{p?1}\text{4j}{}^2\text{4j}{}^2\text{?1}{}^{\mathrm{2p?2j}}\text{if}\text{n=2p}$

,

$\text{ρ}{}^{\mathrm{x}}{}_{\mathrm{2p+1}}\text{=±}\text{1}\text{4}\text{2}\text{π}{}^{\mathrm{2p+1}}\text{Π}\text{j=1}\text{p}\text{4j}{}^2\text{4j}{}^2\text{?1}{}^{\mathrm{2p+2j}}\text{if}\text{n=2p+1}$

, where the plus sign applies when J is positive and the minus sign applies when J is negative. From these the asymptotic behavior as n → ∞ of |?^x_n| at T = 0 is derived to be $\text{|ρ}{}^{\mathrm{x}}{}_{\mathrm{n}}\text{| ～}\text{a}\text{n}$ with a = 0.147088?. For finite temperatures, ρ^x_n is calculated numerically. By using the results for ?^x_n, the transverse inverse correlation length and the wavenumber dependent transverse spin pair correlation function are also calculated exactly.     

Measurement of charge distributions for 229Th(nth,f) and 232U(nth,f)

A gas ΔE ? E_R telescope has been used to measure charge yields and their correlations with kinetic energies for ²²⁹Th and ²³²U. Even-charge yields are enhanced compared with odd-charge yields for both fissioning systems; this enhancement increases for events with higher kinetic energy. The mean odd-even effect $\text{δ}{}_{\mathrm{<mtext>p</mtext>}}\text{is}\text{= (40±4)\%}\text{for}{}^{229}\text{Th}$; it is $\text{(21 ± 3)\%}\text{for}{}^{232}\text{U-the same as for}{}^{233}\text{U}\text{((22.1±2.1)\%)}\text{and}{}^{235}\text{U}\text{((23.7±0.7)\%)}$. The energy-integrated δ_p and δ_p for different energy windows, vary strongly as a function of charge (Z) due to the underlying shells. The δ_p averaged over Z increases fast with kinetic energy, contrary to the existing results for ²³³U and ²³⁵U, where δ_p flattens off at low energies. For both systems, the most probable kinetic energy ē shows a strong odd-even stagger; the mean odd-even effect on energy, $\text{δE}{}_{\mathrm{<mtext>K</mtext>}}{}^{\mathrm{<mtext>o?e</mtext>}}\text{,}\text{is}\text{1.4 ± 0.3}\text{MeV for}{}^{229}\text{Th, and}\text{1.7±0.4}\text{MeV for}{}^{232}\text{U}\text{—}$ the latter is about twice the value for ${}^{233}\text{U}\text{(0.95 ± 0.09}\text{MeV}\text{)}\text{and}{}^{235}\text{U}\text{(0.7}\text{MeV}\text{)}$. These results are discussed in terms of the existing models.     

The Pomeron and the scaling law for partial wave amplitudes

From the scaling law for the s-channel partial wave amplitudes, which guarantees simultaneously t-channel unitarity at threshold t = 4μ² and s-channel unitarity, we derive: (i) The intercept α(0) of the Pomeron is always one, if α(4μ²) > 1. (ii) The total and the elastic cross sections are bounded from below for s → ∞.

where α(4μ²) and δ(4μ²) are the position and the type of te Pomeron singularity (J ? α(4μ²))^{?1?δ(4μ2) at t = 4μ2}. (iii) The type of the Pomeron singularity δ(4μ²) is restricted: either $\text{δ(4μ}{}^2\text{) ?}\text{1}\text{2}$ or $\text{δ(4μ}{}^2\text{) ?}\text{1}\text{2}$.     

The irreducible Raman scattering tensor operator for the 32 crystallographic point groups and its application to the resonance and electronic Raman effect

The irreducible components of the Raman scattering tensor operator $\text{α}\text{?}{}_{\mathrm{\gamma }}{}^{\mathrm{<mtext>\Gamma </mtext>}}\text{(}\text{Γ}{}_{\mathrm{ks}}\text{Γ}{}_{\mathrm{k\prime s\prime }}\text{)}$ under the symmetry of a general point group are calculated. The unitary transformations U(Γ_γΓ_ksΓ_k′s′, ρσ) from the Cartesian $\text{α}\text{?}{}_{\mathrm{\rho \sigma }}$ and spherical $\text{α}\text{?}{}_{\mathrm{Q}}{}^{\mathrm{K}}$ components, respectively, to the irreducible components $\text{α}\text{?}{}_{\mathrm{\gamma }}{}^{\mathrm{<mtext>\Gamma </mtext>}}\text{(}\text{Γ}{}_{\mathrm{ks}}\text{Γ}{}_{\mathrm{k\prime s\prime }}\text{)}$ for the 32 crystallographic point groups are collected in tables. As an example the unitary transformation U(Γ_γΓ_ksΓ_k′s′, ρσ) is used to discuss the behavior of the scattering tensor in a resonance Raman experiment. With the help of the general formalism the scattering tensor for electronic Raman transitions of transition metal ions is calculated. As an example the scattering tensors of electronic Raman transitions within the ⁵T₂ state of the high-spin trigonal distorted octahedral Fe²⁺ are calculated and the refinement of the selection rules is discussed.     

How to continue the predictions of perturbative QCD from the spacelike region where they are derived to the timelike regime where experiments are performed

The predictions of perturbative QCD are derived in the deep euclidean region, whereas the physical region for most observables is timelike. The confrontation of these predictions with experiment thus necessitates an analytic continuation. This we find introduces large higher order corrections in terms of α_s(|Q²|), the usual choice ofperturbative expansion parameter. These corrections are naturally absorbed by changing to the expansion parameter $\text{a}\text{(Q}{}^2\text{) = |α}{}_{\mathrm{<mtext>s</mtext>}}\text{(Q}{}^2\text{)|(}\text{Re}\text{α}{}_{\mathrm{<mtext>s</mtext>}}\text{(Q}{}^2\text{)/|α}{}_{\mathrm{<mtext>s</mtext>}}\text{(Q}{}^2\text{)|)}{}^{\mathrm{<mtext>(n?2)</mtext><mtext>3</mtext>}}$, where α_s(Q²)ⁿ is the leading term in the spacelike region. For the intermediate range of Q² experimentally accessible at present, where $\text{a}\text{(Q}{}^2\text{)}$ is significantly smaller than α_s(|Q²|), we find the resulting phenomenology is improved. In particular, we demonstrate how the values of $\text{Λ}{}_{\mathrm{<mtext>MS</mtext>}}$ obtained from analyses of quarkonium decays become consistent.