Sequential contact transformation formulation of asymmetric-rotator vibration-rotation Hamiltonian

The sequential contact transformation technique recently described in this journal by Niroomand-Rad and Parker is applied to the Amat-Nielsen expansion of the Darling-Dennison Hamiltonian of asymmetric rotator type molecules. The resulting formalism for the calculation of fourth-order Hamiltonian coefficients is significantly simpler than the conventional Amat-Nielsen contact transformation formalism. Therefore the eventual development of detailed expressions for fourth-order vibration-rotation interaction coefficients in terms of fundamental molecular constants now appears much more feasible.     

Invariant combinations of coefficients in the rotational Hamiltonian

A general development of combinations of parameters in the asymmetric rotor Hamiltonian, which are independent of the coefficients of the contact transformation operators used in the reduction of that Hamiltonian, is given. These invariant combinations are obtained for a Hamiltonian containing up to eighth degree operators. The adaptation to the A and S forms of the Watson Hamiltonian and their utility in conversion of coefficients from one form to another is discussed.     

Representation matricielle du moment dipolaire dans la base des fonctions propres de l'Hamiltonien; intensites infrarouges et moments dipolaires des etats vibrationnellement excites

The molecular dipole moment matrix is obtained in the Hamiltonian representation by a contact transformation. Infrared intensities and dipole moments of polyatomic molecules have been obtained for vibrationally-excited states. The results have been applied to the SO₂ molecule.     

Convergence of the reduced Hamiltonian with centrifugal distortion in asymmetric top molecules

It is shown that the goodness of fit of observed spectra of asymmetric top molecules, when using the reduced Hamiltonian of Watson, can be affected by the choice of molecular z-axis. The spectra of carbonyl fluoride and sulphur dioxide are used to illustrate this effect, and the convergence properties of the Hamiltonian are related to the order of magnitude of the co-efficient s₁₁₁ used in the contact transformation.     

Multiple-quantum operator algebra spaces and description for unitary time evolution of multilevel spin systems

A general operator algebra formalism is proposed for describing the unitary time evolution of multilevel spin systems. The time-evolutional propagator of a multilevel spin system is decomposed completely into a product of a series of elementary propagators. Then the unitary time evolution of the system can be determined exactly through the decomposed propagator. This decomposition may be simplified with the help of the properties of the finite dimensional Liouville operator space and of its three operator subspaces, and the operator algebra structure of spin Hamiltonian of the system. The Liouville operator space contains the even-order multiple-quantum, the zero-quantum, and the longitudinal magnetization and spin order operator subspace, and moreover, each former subspace contains its following subspaces. The propagator can be decomposed readily and completely for a spin system whose Hamiltonian is a member of the longitudinal magnetization and spin order operator subspace. If the Hamiltonian of a spin system is a zero-quantum operator this decomposition may be implemented by making a zero-quantum unitary transformation on the Hamiltonian to convert it into the diagonalized Hamiltonian, while if the Hamiltonian is an even-order multiple-quantum operator the decomposition may be carried out by diagonalizing the Hamiltonian with an even-order multiple-quantum unitary transformation. When the Hamiltonian is a member of the Liouville operator space but not any element of its three subspaces the decomposition may be achieved first by making an odd-order multiple-quantum and then an even-order multiple-quantum unitary transformation to convert it into the diagonalized Hamiltonian. Parameter equations to determine the unknown parameters in the decomposed propagator are derived for the general case and approaches to solve the equations are proposed.     

含时边界条件和Berry相位

对一具有含时边界条件的量子体系,有效哈密顿算符可用一种简单的方式去构造而不涉及任何几何处理。用这种方法构造了一个在半径随时间变化的球形盒子内的量子粒子的有效哈密顿算符,并用它来计算波函数的Berry相位。发现有效哈密顿算符与原哈密顿算符在形式上由一静态规范变换相关联。这两个哈密顿算符的量子态差Berry相位。 关键词：     

Thermodynamics under Dynamic Forcing

Beginning with a system that is governed by an arbitrary time-dependent Hamiltonian, we exhibit an existence proof for a unitary generator that has an arbitrary initial value and yet contact transforms the representation to one governed by any given kinematically equivalent Hamiltonian. By choosing the initial value of the unitary operator to be unity, we are able to compare the behaviour of the same system under two different Hamiltonians and the same initial state vector. We thus are able to establish that the eventual physical states evolving from two distinct initial quantum state vectors will become practically indistinguishable under one of the two Hamiltonians if and only if they do so under the other. For the restricted class of systems for which one of the two Hamiltonians is a time-independent energy operator, and also generates equilibrium thermodynamics, then the condition for merging under the time-dependent Hamiltonian is the same as under the time-independent one. The two states must have the same initial energy. As a special case of the above, we choose the time-independent Hamiltonian to be the relativistic energy measuring operator for the time-dependent Hamiltonian, as associated with the chosen initial time. If the system under the time-dependent Hamiltonian is such that its relativistic energy measuring operator for any fixed time generates equilibrium thermodynamics, then we are led rigorously to the conclusion that the instantaneous relativistic energy for the system under the time-dependent Hamiltonian is simply a well-defined function of time and depends only on the initial energy and not on any other initial conditions. For a composite system that is of the above type, and in addition consists of one very small system in contact with a very large one, which is called a generalized reservoir, we consider a specific initial physical state for the large system, and various states for the small one. The eventual dynamic state of the composite system is essentially independent of the initial state of the small system which has almost no influence on the total composite energy. Hence the eventual dynamic state of the small system is shown rigorously to be independent of its initial state. For a forced system with a time-dependent Hamiltonian, we discuss the assignment of equilibrium thermodynamic potentials to a representation with a time-independent Hamiltonian. We discuss the concept of a process under a time-dependent Hamiltonian. Such a process is a natural generalization of the static and quasi-static processes. Also, we verify all of the theory with both general and specific examples of electromagnetic interactions.     

Applications of Noether conservation theorem to Hamiltonian systems

The Noether theorem connecting symmetries and conservation laws can be applied directly in a Hamiltonian framework without using any intermediate Lagrangian formulation. This requires a careful discussion about the invariance of the boundary conditions under a canonical transformation and this paper proposes to address this issue. Then, the unified treatment of Hamiltonian systems offered by Noether’s approach is illustrated on several examples, including classical field theory and quantum dynamics.     

Renormalization-group transformations on quantum states

We construct a general renormalization-group transformation on quantum states, independent of any Hamiltonian dynamics of the system. We illustrate this procedure for translational invariant matrix product states in one dimension and show that product, Greenberger-Horne-Zeilinger, W, and domain wall states are special cases of an emerging classification of the fixed points of this coarse-graining transformation.     

Proper-Time Relativistic Dynamics and the Fushchych-Shtelen Transformation

Abstract

We report on a new formulation of classical relativistic Hamiltonian mechanics which is based on a proper-time implementation of special relativity using a transformation from observer proper-time, which is not invariant, to system proper-time which is a canonical contact transformation on extended phase-space. This approach does not require the use of time as a fourth coordinate and so we prove that it satisfies the two postulates of special relativity. In the free particle case, our transformation theory generates a Poincaré group which fixes time (system proper-time). We prove that the Fushchych-Shtelen transformation is an element of our group, which fixes time for Maxwell’s equations. In the interaction case, our transformation theory allows us to avoid the no-interaction theorem. We show that the Santilli Isotopes appear naturally when interaction is turned on.     

Solving Generalized Non-degenerate Two-Mode Two-Photon Jaynes-Cummings Model by Supersymmetric Unitary Transformation

Based on supersymmetric quantum mechanics theory, we introduced a supersymmetric unitary transformation to diagonalize the Hamiltonian of non-degenerate two-mode two-photon Jaynes-Cummings models which include any forms of intensity-dependent coupling, field-dependent detuning, and field nonlinearity. Its eigenvalue, eigenstates, and time evolution of state vector are obtained.     

Electromagnetic interactions in liquid helium

The Hamiltonian of interaction of liquid helium with the quantized electromagnetic field plays an important role in such phenomena as Raman scattering, excitons, and possible cooperative effects of exchange of virtual photons. This interaction has been derived from first principles by application of an appropriate unitary transformation to the second-quantized Hamiltonian of nuclei and electrons interacting with the quantized radiation field. The transformation is chosen so that the atomic bound states appear explicitly in the relevant scattering and reaction terms of the transformed Hamiltonian.     

Effective torsion-rotation Hamiltonian for methanol-type molecules

A fourth-order effective Hamiltonian has been derived for the torsion-rotation problem of a methanol-type molecule, i.e., for a C_3v top attached to a C_s frame. First, symmetry considerations based on a frame-fixed axis system are used to determine allowed terms in the Hamiltonian. These terms are then subjected to a contact transformation to remove the indeterminate ones. This procedure is essentially an extension of Watson's method for semirigid molecules to the torsion-rotation problem. It is demonstrated that the Hamiltonian derived in the present work is capable of improving the fittings of the millimeter and submillimeter absorption frequencies of CH₃OH and CH₃SH.     

Solving Multiphoton Jaynes–Cummings Model with Field Nonlinearity by Supersymmetric Unitary Transformation

We introduce a supersymmetric unitary transformation, to diagonalize the multiphoton Jaynes–Cummings model Hamiltonian based on supersymmetric quantum mechanics theory, that includes any forms of intensity-dependent coupling and field nonlinearity. On doing so, we obtain its eigenvalue and eigenstates, and the time evolution of state vector.     

Effective Hamiltonian for degenerate vibrational states in symmetric top molecules

A mixed matrix-operator form of the effective rotational Hamiltonian has been discussed for the degenerate vibrational states of symmetric top molecules. In this scheme, a rotational contact transformation can be applied to the effective Hamiltonian such that the operators of the “2, +2,” “2, −2,” and “2, −1” l-type interactions as well as the operators of the Δk = ±3 and ±4 interactions are eliminated from the first-order terms of the expansion of the rotational Hamiltonian in terms of the small parameter λ. The results have been used to discuss the correlation between various interaction parameters in the effective rotational Hamiltonian for the doubly degenerate fundamental vibrational levels of semirigid symmetric top molecules. For example, for C_3v or D₃ molecules, the parameter of the “2, −1” interaction is correlated with other parameters and cannot be determined separately by fitting the experimental data (unless there are certain accidental resonances between vibrational-rotational levels).     

RLC介观电路中的量子涨落

从线性谐振子哈氏量出发,通过正则变换,得到了受迫阻尼谐振子哈氏量,还讨论了在压缩态下的电荷和电流的量子涨落。     

Hamiltonian long-wave approximations of water waves with constant vorticity

Starting from a Hamiltonian formulation of water waves with constant vorticity we derive several long-wave approximations. These approximate models are also Hamiltonian and the connection between the symplectic structures is described by a simple transformation theory.     

Renormalization and Periodic Orbits¶for Hamiltonian Flows

We consider a renormalization group transformation for analytic Hamiltonians in two or more dimensions, and use this transformation to construct invariant tori, as well as sequences of periodic orbits with rotation vectors approaching that of the invariant torus. The construction of periodic and quasiperiodic orbits is limited to near-integrable Hamiltonians. But as a first step toward a non-perturbative analysis, we extend the domain of to include any Hamiltonian for which a certain non-resonance condition holds. Received: 5 October 1999 / Accepted: 2 February 2000     

Symmetry and Topology of the Topological Counterparts in Non-Hermitian Systems

The symmetries and topological properties of the topological counterparts in 1D non-Hermitian systems are investigated. It is found that, after applying the non-unitary similarity transformation, the non-unitary topological counterpart in real space exhibits completely different global symmetries except for the sublattice symmetry and reveals many brand new local symmetries. Due to the abundant symmetries of non-unitary topological counterparts, it is also found that the unique overlapping projections about the unit sphere vector representing the eigenstates appear in the nontrivial regions, and the triviality of the point-gap topology of non-unitary topological counterpart completely eliminate the intrinsic skin effect in non-Hermitian systems. It is also shown that the unitary topological counterpart never arises any changes for the original symmetries and topological structures even in real space. Unitary topological counterparts are further summarized about the two-band Bloch Hamiltonian, which can expand the definition of non-Bloch winding number. Furthermore, it is demonstrated theoretically that the Bloch Hamiltonian would still hold time-reversal symmetry, abnormal particle-hole symmetry, and sublattice symmetry even suffering from the non-unitary transformation. This work provides a new way to understand the roles of symmetry and topology in non-Hermitian systems from the perspective of topological counterparts.     

Weyl transformation in Fermi systems

In the path integral representation, the Hamiltonian in a quantum system is associated with the Hamiltonian in a classical system through the Weyl transformation. From this, it is possible to describe the time evolution in a quantum system by the Hamiltonian in a classical system. In a Bose system, the Weyl transformation is defined by the eigenstates of the canonical operators, since the Hamiltonian is given by a function of the canonical operators. On the other hand, in a Fermi system, the Hamiltonian is usually described by a function of the creation and annihilation operators, and hence the Weyl transformation is defined by the coherent states which are the eigenstate of an annihilation operator. Here, we formulate the Weyl transformation in Fermi systems in terms of the eigenstates of the canonical operators so as to clarify the correspondence between both systems. Using this, we can derive the path integral representation in Fermi systems.