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The Monte Carlo method for electron transport is a semiclassical Monte Carlo (MC) approach of modeling semiconductor transport. Assuming the carrier motion consists of free flights interrupted by scattering mechanisms, a computer is utilized to simulate the trajectories of particles as they move across the device under the influence of an electric field using classical mechanics.
The Klein–Gordon equation, + =, was the first such equation to be obtained, even before the nonrelativistic one-particle Schrödinger equation, and applies to massive spinless particles. Historically, Dirac obtained the Dirac equation by seeking a differential equation that would be first-order in both time and space, a desirable property for ...
Computational chemists often attempt to solve the non-relativistic Schrödinger equation, with relativistic corrections added, although some progress has been made in solving the fully relativistic Dirac equation. In principle, it is possible to solve the Schrödinger equation in either its time-dependent or time-independent form, as ...
The corresponding Schrödinger equation is easily solved, it factorizes into 3N − 6 equations for one-dimensional harmonic oscillators. The main effort in this approximate solution of the nuclear motion Schrödinger equation is the computation of the Hessian F of V and its diagonalization.
The nonlinear Schrödinger equation (NLSE) is a fundamental equation in quantum mechanics and other various fields of physics, describing the evolution of complex wave functions. In Quantum Physics, normalization means that the total probability of finding a quantum particle anywhere in the universe is unity.
where Ψ is usually the electronic ground state of the system. If the expansion includes all possible CSFs of the appropriate symmetry, then this is a full configuration interaction procedure which exactly solves the electronic Schrödinger equation within the space spanned by the one-particle
Quantum Trajectory Theory (QTT) is a formulation of quantum mechanics used for simulating open quantum systems, quantum dissipation and single quantum systems. [1] It was developed by Howard Carmichael in the early 1990s around the same time as the similar formulation, known as the quantum jump method or Monte Carlo wave function (MCWF) method, developed by Dalibard, Castin and Mølmer. [2]
It is a special case of the configuration interaction method in which all Slater determinants (or configuration state functions, CSFs) of the proper symmetry are included in the variational procedure (i.e., all Slater determinants obtained by exciting all possible electrons to all possible virtual orbitals, orbitals which are unoccupied in the electronic ground state configuration).