scientific article; zbMATH DE number 2152898

zbMath1066.81505MaRDI QIDQ4664497

Marco Buongiorno Nardelli, Jean-Luc Fattebert

Publication date: 5 April 2005

Title: zbMATH Open Web Interface contents unavailable due to conflicting licenses.

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Computational methods for problems pertaining to quantum theory (81-08) Finite difference methods for boundary value problems involving PDEs (65N06) Differential geometric methods, including holonomy, Berry and Hannay phases, Aharonov-Bohm effect, etc. in quantum theory (81Q70) Numerical methods for eigenvalue problems for boundary value problems involving PDEs (65N25)

Related Items (7)

A parallel orbital-updating based optimization method for electronic structure calculations ⋮ Numerical solution of the Kohn-Sham equation by finite element methods with an adaptive mesh redistribution technique ⋮ Finite element approach for density functional theory calculations on locally-refined meshes ⋮ An \(h\)-adaptive finite element solver for the calculations of the electronic structures ⋮ An adaptive FEM with ITP approach for steady Schrödinger equation ⋮ Computing several eigenpairs of Hermitian problems by conjugate gradient iterations ⋮ A Mortar Spectral Element Method for Full-Potential Electronic Structure Calculations

Uses Software

• ScaLAPACK

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