Atomic and molecular calculations using quasirandom numbers

DOI10.1006/jcph.2001.6865zbMath0989.81628OpenAlexW2083609097MaRDI QIDQ5948939

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Publication date: 12 November 2001

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1006/jcph.2001.6865

zbMATH Keywords

numerical integrationkinetic energypotential energyexplicitly correlated wavefunctionsground-state energyHalton's algorithm

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) Software, source code, etc. for problems pertaining to quantum theory (81-04) Random number generation in numerical analysis (65C10) Weak interaction in quantum theory (81V15)

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Geometric analysis of the Goldbeter minimal model for the embryonic cell cycle ⋮ Population dynamics of globally coupled degrade-and-fire oscillators ⋮ A survey of some methods for real quantifier elimination, decision, and satisfiability and their applications ⋮ A mathematical model of the photosynthetic carbon metabolism has multiple steady states under the same parameter conditions

Cites Work

• Unnamed Item
• A pairing method which improves convergence in Monte-Carlo estimation of quantum mechanical expectation values
• Monte Carlo integration with quasi-random numbers: Some experience

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