A 3-dimensional finite elements procedure for quantum mechanical applications

DOI10.1016/0010-4655(94)00160-4zbMath0873.65112OpenAlexW1985229169MaRDI QIDQ1359849

Armin Scrinzi

Publication date: 16 October 1997

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/0010-4655(94)00160-4

zbMATH Keywords

finite elementsSchrödinger equationelectronic structure of two-atom molecules

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) NLS equations (nonlinear Schrödinger equations) (35Q55) Applications to the sciences (65Z05)

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EXACT NUMERICAL SOLUTION OF SCHRÖDINGER'S EQUATION FOR A PARTICLE IN AN INTERACTION POTENTIAL OF GENERAL SHAPE ⋮ A Mortar Spectral Element Method for Full-Potential Electronic Structure Calculations ⋮ Numerical solutions of the Schrödinger equation for the ground lithium by the finite element method

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