Search results for "Adiabatic theorem"
showing 10 items of 30 documents
Semiclassical approximation in the magnetic problem of exchange-coupled mixed valence clusters
1994
Abstract The frameworks of the applicability of the semiclassical adiabatic approach suggested by Borras-Almenar, Coronado and Tsukerblat to the magnetic problem of mixed valence clusters are considered in a model taking into account magnetic exchange, double exchange and vibronic interaction. The results for the quantum-mechanical and semicalssical calculation of the temperature-variable magnetic moments are compared with those within the scope of the semiclassical approximation for the dimeric d 1 —d 2 clusters and trimeric d 1 —d 1 —d 2 systems with partial delocalization over a pair of ions. The semiclassical approach describes with high accuracy the temperature dependencies of the magn…
Pseudo-Jahn–Teller Origin of the Metastable States in Sodium Nitroprusside
2003
Abstract A new model for the photochromic effect in sodium nitroprusside Na 2 [Fe(CN) 5 (NO)]·2H 2 O based on the concept of the pseudo-Jahn–Teller effect is proposed. The model takes into account the electron transfer from the Fe 2+ ion to the π ∗ orbitals of the NO-ligand as well as the vibronic mixing of three electronic states of the Fe–NO fragment through the non-symmetric and full symmetric modes. The problem is solved within the adiabatic approximation. Under certain conditions, the lower sheet of the adiabatic potential is shown to possess three minima with the increasing energies that correspond to the N-bound, sideways bound, and O-bound NO group. The barriers between the minima a…
Adiabatic evolution of quantum-mechanical systems
1991
A description of the adiabatic approximation in terms of the time-evolution operator is presented. Corrections to the approximation are studied, and it is seen that these can be obtained in a simple way in the case of a rapidly oscillating Hamiltonian.
Geometric factors in the adiabatic evolution of classical systems
1992
Abstract The adiabatic evolution of the classical time-dependent generalized harmonic oscillator in one dimension is analyzed in detail. In particular, we define the adiabatic approximation, obtain a new derivation of Hannay's angle requiring no averaging principle and point out the existence of a geometric factor accompanying changes in the adiabatic invariant.
Revealing Anisotropy in a Paul Trap Through Berry Phase
2006
When an ion confined in an anisotropic bidimensional Paul trap is subjected to a laser beam oriented along an arbitrary direction, the interaction between its electronic and vibrational degrees of freedom is described by a time-dependent Hamiltonian model as a consequence of the lack of symmetry. Appropriately choosing the laser frequency, the Hamiltonian model turns out to be sinusoidally oscillating at the difference between the proper frequencies of the center of mass of the ion. Thus, if the anisotropy of the trap is sufficiently small, the evolution of the system can be considered as adiabatic. In the context of this physical situation we have calculated the Berry phase acquired in a c…
Correlation Dynamics During a Slow Interaction Quench in a One-Dimensional Bose Gas
2014
We investigate the response of a one-dimensional Bose gas to a slow increase of its interaction strength. We focus on the rich dynamics of equal-time single-particle correlations treating the Lieb-Liniger model within a bosonization approach and the Bose-Hubbard model using the time-dependent density-matrix renormalization group method. For short distances, correlations follow a power-law with distance with an exponent given by the adiabatic approximation. In contrast, for long distances, correlations decay algebraically with an exponent understood within the sudden quench approximation. This long distance regime is separated from an intermediate distance one by a generalized Lieb-Robinson …
Direct method for calculating temperature-dependent transport properties
2015
We show how temperature-induced disorder can be combined in a direct way with first-principles scattering theory to study diffusive transport in real materials. Excellent (good) agreement with experiment is found for the resistivity of Cu, Pd, Pt (and Fe) when lattice (and spin) disorder are calculated from first principles. For Fe, the agreement with experiment is limited by how well the magnetization (of itinerant ferromagnets) can be calculated as a function of temperature. By introducing a simple Debye-like model of spin disorder parameterized to reproduce the experimental magnetization, the temperature dependence of the average resistivity, the anisotropic magnetoresistance and the spi…
Oscillator Strengths of Electronic Excitations with Response Theory using Phase Including Natural Orbital Functionals
2013
The key characteristics of electronic excitations of many-electron systems, the excitation energies ωα and the oscillator strengths fα, can be obtained from linear response theory. In one-electron models and within the adiabatic approximation, the zeros of the inverse response matrix, which occur at the excitation energies, can be obtained from a simple diagonalization. Particular cases are the eigenvalue equations of time-dependent density functional theory (TDDFT), time-dependent density matrix functional theory, and the recently developed phase-including natural orbital (PINO) functional theory. In this paper, an expression for the oscillator strengths fα of the electronic excitations is…
Eigenfunction expansions for time dependent hamiltonians
2008
We describe a generalization of Floquet theory for non periodic time dependent Hamiltonians. It allows to express the time evolution in terms of an expansion in eigenfunctions of a generalized quasienergy operator. We discuss a conjecture on the extension of the adiabatic theorem to this type of systems, which gives a procedure for the physical preparation of Floquet states. *** DIRECT SUPPORT *** A3418380 00004
A consistent microscopic theory of collective motion in the framework of an ATDHF approach
1978
Based on merely two assumptions, namely the existence of a collective Hamiltonian and that the collective motion evolves along Slater determinants, we first derive a set of adiabatic time-dependent Hartree-Fock equations (ATDHF) which determine the collective path, the mass and the potential, second give a unique procedure for quantizing the resulting classical collective Hamiltonian, and third explain how to use the collective wavefunctions, which are eigenstates of the quantized Hamiltonian.