Monte Carlo algorithms for expectation values of coordinate operators

Ground State of the Electron Gas by a Stochastic Method

David M. Ceperley, B. J. Alder · Physical Review Letters · 1980 · 14.2K citations

Natural Sciences, Physics, Condensed Matter Physics +16

Potential-Energy Curves for the <i>X</i> 1Σ<i>g</i>+, <i>b</i>3Σ<i>u</i>+, and <i>C</i> 1Π<i>u</i> States of the Hydrogen Molecule

W. Kol os, L. Wolniewicz · The Journal of Chemical Physics · 1965 · 1.4K citations

Natural Sciences, Chemistry, Physics +14

Fixed-node quantum Monte Carlo for moleculesa) b)

Peter Reynolds, David M. Ceperley, Berni J. Alder et al. · The Journal of Chemical Physics · 1982 · 1.1K citations

Natural Sciences, Chemistry, Physics +17

A random-walk simulation of the Schrödinger equation: H+3

James B. Anderson · The Journal of Chemical Physics · 1975 · 955 citations

Natural Sciences, Chemistry, Physics +17

Quantum chemistry by random walk. H 2<i>P</i>, H+3 <i>D</i>3<i>h</i> 1<i>A</i>′1, H2 3Σ+<i>u</i>, H4 1Σ+<i>g</i>, Be 1<i>S</i>

James B. Anderson · The Journal of Chemical Physics · 1976 · 567 citations

Natural Sciences, Chemistry, Physics +17