Solving the Schrödinger Equation on Real-Space Grids and with Random Walks

DOI10.1142/9781848167254_0010zbMath1273.81061OpenAlexW2502728392MaRDI QIDQ2848245

Thomas L. Beck, Joel H. Dedrick

Publication date: 26 September 2013

Published in: Solving the Schrödinger Equation (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1142/9781848167254_0010

zbMATH Keywords

density functional theoryKohn-Sham equationsFeynman-Kac methodlarge scale electronic structurelow-scaling algorithms

Mathematics Subject Classification ID

Monte Carlo methods (65C05) 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) Random walks, random surfaces, lattice animals, etc. in equilibrium statistical mechanics (82B41) Software, source code, etc. for problems pertaining to quantum theory (81-04) Molecular physics (81V55)

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