Simple evaluation of Franck–Condon factors and non‐Condon effects in the Morse potential

The calculation of Franck–Condon factors between different 1‐D Morse potential eigenstates using a formula derived from the Wigner function is discussed. Our numerical calculations using a simple program written in Mathematica are compared with other calculations. We show that our results have a similar accuracy as those calculations performed with more sophisticated methods. We discuss the extension of our method to include non‐Condon effects in the calculation. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem 88: 280–295, 2002     

Molecular shape effects and quantum theory

Certain features of the chemist's molecular structure model, viz. size and shape, are retrieved even in the best non-adiabatic variational calculations thus far carried out for ground states of H ₂ ⁺ and H₂. Those features do not conflict with the full symmetry of exact molecular eigenstates, once they are properly understood as correlation effects.     

On the Interaction of Two Finite-Dimensional Quantum Systems

Interaction of quantum system S ^a described by the generalised × eigenvalue equation A| _s =E _s S ^a | _s (s=1,...,) with quantum system S ^b described by the generalised n×n eigenvalue equation B| _i = _i S ^b | _i (i=1,...,n) is considered. With the system S ^a is associated -dimensional space X ^a and with the system S ^b is associated an n-dimensional space X _n ^b that is orthogonal to X ^a . Combined system S is described by the generalised (+n)×(+n) eigenvalue equation [A+B+V]| _k = _k [S ^a +S ^b +P]| _k (k=1,...,n+) where operators V and P represent interaction between those two systems. All operators are Hermitian, while operators S ^a ,S ^b and S=S ^a +S ^b +P are, in addition, positive definite. It is shown that each eigenvalue _{k i} of the combined system is the eigenvalue of the × eigenvalue equation . Operator in this equation is expressed in terms of the eigenvalues _i of the system S ^b and in terms of matrix elements _s |V| _i and _s |P| _i where vectors | _s form a base in X ^a . Eigenstate | _k ^a of this equation is the projection of the eigenstate | _k of the combined system on the space X ^a . Projection | _k ^b of | _k on the space X _n ^b is given by | _k ^b =( _k S ^b –B)^–1(V– _k P})| _k ^a where ( _k S ^b –B)^–1 is inverse of ( _k S ^b –B) in X _n ^b . Hence, if the solution to the system S ^b is known, one can obtain all eigenvalues _{k i} } and all the corresponding eigenstates | _k of the combined system as a solution of the above × eigenvalue equation that refers to the system S ^a alone. Slightly more complicated expressions are obtained for the eigenvalues _{k i} } and the corresponding eigenstates, provided such eigenvalues and eigenstates exist.     

光子消灭算符k次幂本征态的量子统计性质

详细讨论了光子消灭算符任意k农幂a~k的正交归一本征态的振幅m(m≤k)次暴压缩和反聚束两种基本非经典效应.     

双参数形变谐振子湮没算符高次幂本征态的量子统计性质

研究双参数形变谐振子湮没算符高次幂本征态的量子统计特性. 结果表明, 当k为偶数时它们都可存在N次方压缩; 并且它们均可呈现反聚束效应.     

一类本征态迭加的高次压缩特性

对一类光子消灭算符aN的正交归一本征态的迭加态的振幅k次方压缩特性进行研究,结果表明一类aN的正交归一本征态的迭加态的振幅k次方压缩特性明显地区别于aN的正交归一本征态k次方压缩.无论N取奇数还是偶数迭加态均存在振幅k(k=Nt或Nt/2)次方压缩,当位相差δ=2mπ/t(m为整数)时迭加态不存在振幅k次方压缩;当δ=π时,只有N和t同时为奇数才有可能存在k次方压缩;当δ=π/2时,对应t≠4m的不同取值迭加态存在k次方压缩;因而参量的位相对振幅的k次方压缩起着关键性的作用.     

Exploring sequential quantum adiabatic switching across supersymmetric partners for finding the eigenstates of a system

We demonstrate that one can exhaustively determine the n‐bound eigenstates of a Hamiltonian H by constructing a sequence of supersymmetric (SUSY) partner Hamiltonians and invoking a time‐dependent quantum adiabatic switching algorithm for passage from the ground state of one to the other. The ground states of the initial pair H⁽⁰⁾ and H⁽¹⁾ are constructed by solving the Riccati equation for the superpotential ?⁽⁰⁾ for H⁽⁰⁾ and adiabatically switching from the ground state Ψ of H⁽⁰⁾ to the ground state Ψ of H⁽¹⁾. The charge operator Q is then used to recover the first excited state Ψ of H⁽⁰⁾. The procedure is repeated for the ground states of SUSY pairs H^{(n + 1)} and H^{(n + 2)}, and appropriate charge operators lead to the excited states Ψ of H⁽⁰⁾ with , thereby exhausting the full eigenspectrum of H⁽⁰⁾. The workability of the proposed method is shown with several well‐known examples. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2011     

The extension of Beltrami's ellipsoid to anisotropic bodies

Summary The spectral decomposition of the compliance, stiffness, and failure tensors for transversely isotropic materials was studied and their characteristic values were calculated using the components of these fourth-rank tensors in a Cartesian frame defining the principal material directions. The spectrally decomposed compliance and stiffness or failure tensors for a transversely isotropic body (fiber-reinforced composite), and the eigenvalues derived from them define in a simple and efficient way the respective elastic eigenstates of the loading of the material. It has been shown that, for the general orthotropic or transversely isotropic body, these eigenstates consist of two double components, ₁ and ₂ which are shears (₂ being a simple shear and ₁, a superposition of simple and pure shears), and that they are associated with distortional components of energy. The remaining two eigenstates, with stress components ₃, and ₄, are the orthogonal supplements to the shear subspace of ₁ and ₂ and consist of an equilateral stress in the plane of isotropy, on which is superimposed a prescribed tension or compression along the symmetry axis of the material. The relationship between these superimposed loading modes is governed by another eigenquantity, the eigenangle .The spectral type of decomposition of the elastic stiffness or compliance tensors in elementary fourth-rank tensors thus serves as a means for the energy-orthogonal decomposition of the energy function. The advantage of this type of decomposition is that the elementary idempotent tensors to which the fourth-rank tensors are decomposed have the interesting property of defining energy-orthogonal stress states. That is, the stress-idempotent tensors are mutually orthogonal and at the same time collinear with their respective strain tensors, and therefore correspond to energy-orthogonal stress states, which are therefore independent of each other. Since the failure tensor is the limiting case for the respective _x, which are eigenstates of the compliance tensor S, this tensor also possesses the same remarkable property.An interesting geometric interpretation arises for the energy-orthogonal stress states if we consider the projections of _x in the principal₃D stress space. Then, the characteristic state ₂ vanishes, whereas stress states ₁, ₃ and ₄ are represented by three mutually orthogonal vectors, oriented as follows: The ₃ and ₄ lie on the principal diagonal plane (₃₁₂) with subtending angles equaling (–/2) and (-), respectively. On the positive principal ₃-axis, is the eigenangle of the orthotropic material, whereas the ₁-vector is normal to the (₃₁₂)-plane and lies on the deviatoric -plane. Vector ₂ is equal to zero.It was additionally conclusively proved that the four eigenvalues of the compliance, stiffness, and failure tensors for a transversely isotropic body, together with value of the eigenangle , constitute the five necessary and simplest parameters with which invariantly to describe either the elastic or the failure behavior of the body. The expressions for the _x-vector thus established represent an ellipsoid centered at the origin of the Cartesian frame, whose principal axes are the directions of the ₁-, ₃- and ₄-vectors. This ellipsoid is a generalization of the Beltrami ellipsoid for isotropic materials.Furthermore, in combination with extensive experimental evidence, this theory indicates that the eigenangle alone monoparametrically characterizes the degree of anisotropy for each transversely isotropic material. Thus, while the angle for isotropic materials is always equal to _i = 125.26° and constitutes a minimum, the angle || progressively increases within the interval 90–180° as the anisotropy of the material is increased. The anisotropy of the various materials, exemplified by their ratiosE _L/2G_L of the longitudinal elastic modulus to the double of the longitudinal shear modulus, increases rapidly tending asymptotically to very high values as the angle approaches its limits of 90 or 180°.     

由非绝热相关获得的形式量子数及其在高激发振动态的经典解释

我们利用非绝热相关方法 ,通过关闭所有的振动模式间的耦合项并追溯到零级本征态 ,以得到体系的形式量子数 ,将形式量子数对高激发振动态的能级谱图进行归属 ,并重构本征能级图谱 ,使本征能级以有序的方式排列。这有助于对高激发振动态的能级进行分类和归属。形式量子数是体现高激发振动态的重要特征 ,是高激发振动态的近似运动守恒量。我们将多维陪集相空间的经典方法应用于高激发态的研究 ,发现形式量子数对应的李雅普诺夫指数为零或最小 ,并且它对应于较大的相空间密度     

Nonclassical Properties of Orthonormalized Eigenstates of the Operator (a q f(N q )) k

In this paper, the completeness of the k orthonormalized eigenstates of the operator (a _q f(N _q )) ^k (k 3) is proved. We introduce a new kind of higher order squeezing and an antibunching. The properties of the Mth-order squeezing and the antibunching effect of the k states are investigated. The result shows that these states may form a complete Hilbert space, and the Mth order [M = (m + 1/2)k;m = 0,1,2,. . .] squeezing effects exist in all of the k states when k is even. There is the antibunching effect in all of the states.