Topic

# Schrödinger equation

About: Schrödinger equation is a research topic. Over the lifetime, 25550 publications have been published within this topic receiving 535429 citations.

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TL;DR: In this article, a time-dependent version of density functional theory was proposed to deal with the non-perturbative quantum mechanical description of interacting many-body systems moving in a very strong timedependent external field.

Abstract: The response of an interacting many-particle system to a time-dependent external field can usually be treated within linear response theory. Due to rapid experimental progress in the field of laser physics, however, ultra-short laser pulses of very high intensity have become available in recent years. The electric field produced in such pulses can reach the strength of the electric field caused by atomic nuclei. If an atomic system is placed in the focus of such a laser pulse one observes a wealth of new phenomena [1] which cannot be explained by traditional perturbation theory. The non-perturbative quantum mechanical description of interacting particles moving in a very strong time-dependent external field therefore has become a prominent problem of theoretical physics. In principle, it requires a full solution of the time-dependent Schrodinger equation for the interacting many-body system, which is an exceedingly difficult task. In view of the success of density functional methods in the treatment of stationary many-body systems and in view of their numerical simplicity, a time-dependent version of density functional theory appears highly desirable, both within and beyond the regime of linear response.

6,874 citations

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TL;DR: In this article, potential-dependent transformations are used to transform the four-component Dirac Hamiltonian to effective two-component regular Hamiltonians, which already contain the most important relativistic effects, including spin-orbit coupling.

Abstract: In this paper, potential‐dependent transformations are used to transform the four‐component Dirac Hamiltonian to effective two‐component regular Hamiltonians. To zeroth order, the expansions give second order differential equations (just like the Schrodinger equation), which already contain the most important relativistic effects, including spin–orbit coupling. One of the zero order Hamiltonians is identical to the one obtained earlier by Chang, Pelissier, and Durand [Phys. Scr. 34, 394 (1986)]. Self‐consistent all‐electron and frozen‐core calculations are performed as well as first order perturbation calculations for the case of the uranium atom using these Hamiltonians. They give very accurate results, especially for the one‐electron energies and densities of the valence orbitals.

3,585 citations

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TL;DR: In this article, a method for carrying out molecular dynamics simulations of processes that involve electronic transitions is proposed, where the time dependent electronic Schrodinger equation is solved self-consistently with the classical mechanical equations of motion of the atoms.

Abstract: A method is proposed for carrying out molecular dynamics simulations of processes that involve electronic transitions. The time dependent electronic Schrodinger equation is solved self‐consistently with the classical mechanical equations of motion of the atoms. At each integration time step a decision is made whether to switch electronic states, according to probabilistic ‘‘fewest switches’’ algorithm. If a switch occurs, the component of velocity in the direction of the nonadiabatic coupling vector is adjusted to conserve energy. The procedure allows electronic transitions to occur anywhere among any number of coupled states, governed by the quantum mechanical probabilities. The method is tested against accurate quantal calculations for three one‐dimensional, two‐state models, two of which have been specifically designed to challenge any such mixed classical–quantal dynamical theory. Although there are some discrepancies, initial indications are encouraging. The model should be applicable to a wide variety of gas‐phase and condensed‐phase phenomena occurring even down to thermal energies.

3,173 citations

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TL;DR: In this paper, the spectral properties of solutions to the time-dependent Schrodinger equation were used to determine the eigenvalues and eigenfunctions of the Schrodings equation.

2,646 citations

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TL;DR: In this paper, an abstract Strichartz estimate for the wave equation (in dimension n ≥ 4) and for the Schrodinger equation (n ≥ 3) was proved.

Abstract: We prove an abstract Strichartz estimate, which implies previously unknown endpoint Strichartz estimates for the wave equation (in dimension n ≥ 4) and the Schrodinger equation (in dimension n ≥ 3). Three other applications are discussed: local existence for a nonlinear wave equation; and Strichartz-type estimates for more general dispersive equations and for the kinetic transport equation.

2,187 citations