Indecomposable representations and boson realizations of the nonlinear deformed angular momentum algebra of Witten’s first type

In this paper indecomposable representations and boson realizations of the nonlinear angular momentum algebra $\mathcal{R}_{q,p}^{c_1,c_2,c_3}$ of Witten’s first type are investigated in a purely algebraic manner. Explicit form of the master representation of $\mathcal{R}_{q,p}^{c_1,c_2,c_3}$ on the space of its universal enveloping algebra is given. Then, from this master representation, other indecomposable representations are obtained in explicit form. Various kinds of single-boson, single inverse boson, and double-boson realizations of $\mathcal{R}_{q,p}^{c_1,c_2,c_3}$ are respectively obtained by generalizing the Holstein–Primakoff realization, the Dyson realization, and the Jordan–Schwinger realization of the Lie algebras SU(2) and SU(1,1). For each kind, the unitary realization, the nonunitary realization, and their connection by the corresponding similarity transformation are respectively discussed. Using a kind of double-boson realizations, the irreducible representation of $\mathcal{R}_{q,p}^{c_1,c_2,c_3}$ in the angular momentum basis is given.     

Energy levels of paramagnetic ions: Algebra. II

The correspondence rules between the algebra of coupling coefficients of the special unitary group SU(2) and the associated algebra of a subgroup G of SU(2) are presented. The matrix elements of the irreducible representations of G are written in a convenient quantization scheme and different relations between these matrix elements and the Clebsch-Gordan coefficients of G are derived. Such a formalism is appropriate for numerous spectroscopic problems. As an example, it is applied to crystal field theory and electron paramagnetic resonance. General formulas from which a large number of results are rederived and generalized in a straightforward fashion are given. Numerical values of coupling coefficients for the tetragonal and cubic groups are listed in the Appendix.     

Clifford algebra and unitary group formulations of the many-electron problem

An essential role of Clifford algebras for quantum-chemical finite-dimensional orbital models of many-electron systems is pointed out. The relationship between Clifford algebra matric units, the generators of the unitary group approach (UGA) and the higher order replacement or excitation operators, as well as between their first and second quantized realizations, is elucidated. The usefulness of higher order replacement operators in the spin-adaptation of various many-body theories is briefly outlined and illustrated on the orthogonally spin-adapted coupled-pair approach. A natural connection with the Clifford algebra UGA is explored and new possibilities for its exploitation in large scale configuration interaction calculations are suggested.Dedicated to Professor J. Koutecký on the occasion of his 65th birthdayKillam Research Fellow 1987–8     

On the structure of the Clifford algebra unitary group adapted states in the many‐electron correlation problem

An attempt has been made to understand the structure of the Clifford algebra unitary group adapted many‐particle states from the conventional symmetric group point of view. Emphasizing the symmetric group result that the consideration of the spin‐independent Hamiltonian matrix over the many‐particle configuration functions (CFs) entails a particular subspace of their spatial parts only, attention is confined entirely in this subspace. Question of adapting the functions therein to the unitary group subduction chain is then shown to bring out an interesting lead to the Clifford algebra unitary group approach (CAUGA) states, thus underlining the motive and the essential gains of the CAUGA formulation. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 77: 607–614, 2000     

Clebsch-Gordan coefficients for chains of groups of interest in quantum chemistry

The algebra of the representation of the special unitary group SU(2), the universal covering of the proper rotation group SO(3), is studied in a nonstandard basis. We are using a basis adapted to a chain of type SU(2) ? …? ? G″ ? G′ ? G. The introduction of such a chain enables us to label, at least partially, the elements of the irreducible tensorial sets under SU(2) with irreducible representations of G, G″ G″, …. We are thus led to introduce the restriction SU(2) → …? → G″ → G′ → G in the Wigner-Racah algebra of the group SU(2). The physical interest of this machinery lies in the fact that the double group of any point symmetry group belongs, up to an isomorphism, to the considered chain. The formalism described in this paper thus appears to be useful in molecular and solid-state calculations. It is particularly efficient in the fields of vibrational-rotational and electronic spectroscopy of molecules. In Appendix A the master formulae, principally the Wigner-Eckart-Racah theorem, for the Wigner-Racah algebra of a chain of compact topological groups (discrete or continuous) are briefly discussed. Lastly, a programme for computing Clebsch-Gordan coefficients for a chain SU(2) ? …? ? G″ ? G′ ? G and numerical results for chains isomorphic to SU(2) ? O′ ? D′₄ ? D′₂ are described in Appendix B.     

Approach of the associated Laguerre functions to the su(1,1) coherent states for some quantum solvable models

Using second‐order differential operators as a realization of the su(1,1) Lie algebra by the associated Laguerre functions, it is shown that the quantum states of the Calogero‐Sutherland, half‐oscillator and radial part of a 3D harmonic oscillator constitute the unitary representations for the same algebra. This su(1,1) Lie algebra symmetry leads to derivation of the Barut‐Girardello and Klauder‐Perelomov coherent states for those models. The explicit compact forms of these coherent states are calculated. Also, to realize the resolution of the identity, their corresponding positive definite measures on the complex plane are obtained in terms of the known functions. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2009     

On N -body Schr?dinger operators

In these notes, we study the estimates of the resolvent or the unitary group of theN-body Schr?dinger operator. The main strategy is to introduce an algebra of operators having nice commutation relations with the many-body Schr?dinger operator. These estimates are applied to derive the detailed properties of the S-matrices associated with the many-body collision process.     

Usage de l'Algèbre de Lie su (n) dans l'Etude des Systèmes Quantiques à n Etats. II. Transformation de l'Espace des Observables,Problèmes d'Evolution

In the previous paper we examined, for a quantum system, the relation between its n-dimensional state space and the su (n) Lie algebra. The present paper is devoted to relations between unitary transformations in the state space and orthogonal transformations in Lie's algebra. Two cases can happen. First, the transformations are independently chosen in the two spaces; this amounts to changing the former relation. On the other hand, the relation is maintained and the unitary operators are then related to some of the orthogonal operators. This second case is used to study the evolution operators.     

BONDED TABLEAU AND UNITARY GROUP APPROACH FOR MANY-ELECTRON PROBLEMS

A unitary group approach based on the so-called bonded tableaux (VB) states is described. Several different realizations of the bonded tableaux are discussed and their relations are pointed out. From a viewpoint of the symmetric group we reveal a simple structure of the matrix elements of unitary group generators and generator products. This structure makes an efficient approach to the matrix element evaluation.     

Explicit representation of Gel'fand–Tsetlin states in clifford algebra unitary group approach

A explicit expression for the unitary group Clebsch–Gordan coefficients, which couple two fully antisymmetric single-column states into the two-column Gel'fand–Tsetlin states, is given in terms of isoscalar factors for the canonical subgroup chain U(n) ? U(n – 1) ? …? ? U(1). The isoscalar factors are expressed through the step numbers labeling canonical basis states and enable a straightforward construction of Gel'fand–Tsetlin states in the Clifford algebra unitary group approach, without the use of the tables for the symmetric group outer-product reduction coefficients.     

准线型四原子分子高激发振动能级的动力学李代数方法

近几年来 ,人们用李代数方法处理了许多问题 [1～ 5] ,在此基础上 ,我们利用动力学李代数方法研究了准线型四原子分子高激发振动态 ,把分子的 Hamiltonian展开成 Casimir算子与 Majorana算子之和[6,7] ,然后进行代数处理 ,从而得到了代数 Hamiltonian的本征值 .1　基本理论四原子分子有 3个键 ,所满足的对称群为 G=U1(4) U2 (4) U3 (4) ,处理分子问题时 ,一般要考Fig.1　 The bond coordinates of fulminic acid(HCNO)虑键与键之间的耦合 ,为了方便 ,首先让键 1与键 2耦合 ,然后再与键 3耦合 (图 1 ) .这种耦合方式可记为 (1 2 ) 3 …     

Use of a symbolic algebra program in NMR

Computer algebra (CA) on microcomputers may be used as a convenient tool to gain greater insight into the use and design of modern NMR pulse sequences and into their relation to the spin parameters. Some applications are demonstrated.     

Molecular symmetry with quaternions

A new and relatively simple version of the quaternion calculus is offered which is especially suitable for applications in molecular symmetry and structure. After introducing the real quaternion algebra and its classical matrix representation in the group SO(4) the relations with vectors in 3-space and the connection with the rotation group SO(3) through automorphism properties of the algebra are discussed. The correlation of the unit quaternions with both the Cayley-Klein and the Euler parameters through the group SU(2) is presented. Besides rotations the extension of quaternions to other important symmetry operations, reflections and the spatial inversion, is given. Finally, the power of the quaternion calculus for molecular symmetry problems is revealed by treating some examples applied to icosahedral symmetry.     

A Laplace transform approach to find the exact solution of the $$$$-dimensional Schrödinger equation with Mie-type potentials and construction of Ladder operators

The second order \(N\)-dimensional Schrödinger equation with Mie-type potentials is reduced to a first order differential equation by using the Laplace transformation. Exact bound state solutions are obtained using convolution theorem. The Ladder operators are also constructed for the Mie-type potentials in \(N\)-dimensions. Lie algebra associated with these operators are studied and it is found that they satisfy the commutation relations for the SU(1,1) group.     

Spin-free quantum theory. XXV. The unitary-group formulation of fermion many-body theory

The fermion unitary group formulation (UGF ) of many-body theory is based on the unitary group U(2n) where n is the number of freeon orbitals. This formulation, which conserves particle-number but not spin, is isomorphic to the particle-number-conserving, second-quantized formulation (SQF ). In UGF we derive the familiar diagrammatic algorithm for matrix elements, M(Y) = (?1)^H+L where H and L denote the numbers of hole lines and loops in the diagram D(Y) of M(Y). The unitary group derivation is considerably simpler than is the conventional, second-quantized derivation that employs time-dependence, Wick's theorem, normal-order, and contractions. In neither fermion UGF nor SQF is spin conserved. We carry out in UGF the spin-projection (symmetry adaptation to SU (2)) of the fermion vectors and obtain with a spin-free Hamiltonian the same matrix elements as with the freeon UGF (part 24 of this series). The fermion unitary group formulation for a spin-free Hamiltonian should be regarded as an alternate path to spin-free quantum chemistry.     

将A-L理论推广到无限维李代数

为使由Alhassid与Levine所提出的动力学李代数方法（简称A－L理论）能适用于更多的散射体系，在h(∞)中引入了有效集合C（有限维）的概念．按照微扰理论的意义，C中的代数元所对应的群参量是较低次微扰的结果，而不属于C的代数元所对应的群参量则相当于较高次做扰所产生的修正结果．因此可以近似地利用C来代替h(∞)．这样，不仅简化了计算程序并且对于很多具有现实意义的散射过程的计算成为可能．     

Valence bond approach exploiting Clifford algebra realization of Rumer–Weyl basis

A detailed algorithm is described that enables an implementation of a general valence bond (VB ) method using the Clifford algebra unitary group approach (CAUGA ). In particular, a convenient scheme for the generation and labeling of classical Rumer–Weyl basis (up to a phase) is formulated, and simple rules are given for the evaluation of matrix elements of unitary group generators, and thus of any spin-independent operator, in this basis. The case of both orthogonal and nonrothogonal atomic orbital bases is considered, so that the proposed algorithm can also be exploited in molecular orbital configuration interaction calculations, if desired, enabling a greater flexibility for N-electron basis-set truncation than is possible with the standard Gel'fand–Tsetlin basis. Finally, an exploitation of this formalism for the VB method, based on semiempirical Pariser–Parr–Pople (PPP )-type Hamiltonian and nonorthogonal overlap-enhanced atomic orbital basis, and its computer implementation, enabling us to carry out arbitrarily truncated or full VB calculations, is described in detail.     

H_2O振动高激发态的李代数研究

Ｈ_２Ｏ振动高激发态的李代数研究郑雨军，丁世良（山东大学理论化学研究室，济南２５０１００）（山东师范大学物理系，济南２５００１４）１引言多原子分子的振动高激发态是当前理论研究和实验研究的重要课题之一．近来对振动高激发态光谱数据的精确测量，更引起了人们?..     

Quasi-Steady State Kinetics of Simple Sequential Multienzyme Reactions with Single Substrates

Applications of computer algebra technique to kinetic analysis of multienzyme reaction including two and three distinct enzymes were described in the literature, which mainly depend on Gröbner Basis theory. In the present study, we have applied the same methodology to a hypothetical system with four enzymes. After deriving a composite rate law for a reaction system with four distinct enzymes using the computer algebra system MAPLE, the composite rate law was fitted to simulated data for time versus product concentration to yield estimates of the kinetic parameters.     

An algebraic approach to the morse potential scattering

A new realization of an algebra SU(1.1), associated with one-dimensional Morse oscillator is introduced. The calculation of the Morse reflection amplitude is then formulated via a recently established algebraic approach to the scattering matrix. In this approach the invariance group of the free particle, The Euclidean group, is used to describe asymptotic behaviour.