William A. Lester

Research.com Recognitions

• 1991 - Fellow of the American Association for the Advancement of Science (AAAS)
• 1983 - Fellow of American Physical Society (APS) Citation For contributions to the application of computers to chemistry

Overview

Best Publications

• Fixed-node quantum Monte Carlo for molecules

  Peter J. Reynolds;Peter J. Reynolds;David M. Ceperley;David M. Ceperley;Berni J. Alder;William A. Lester

  1390
  Citations

• Monte Carlo Methods In Ab Initio Quantum Chemistry

  B. L. Hammond;W. A. Lester;Peter J. Reynolds

  1234
  Citations

• Quantum Monte Carlo and Related Approaches

  Brian M. Austin;Dmitry Yu. Zubarev;William A. Lester;William A. Lester

  361
  Citations

• Valence quantum Monte Carlo with ab initio effective core potentials

  Brian L. Hammond;Peter J. Reynolds;William A. Lester

  206
  Citations

• Interaction Potential between Li and HF

  W. A. Lester;M. Krauss

  195
  Citations

• Extended basis first‐order CI study of the 1A′, 3A″, 1A″, and B̃ 1A′ potential energy surfaces of the O(3P,1D)+H2(1Σg+) reaction

  Robert E. Howard;A. D. McLean;W. A. Lester

  164
  Citations

• Recent advances in quantum Monte Carlo methods

  William A Lester

  164
  Citations

• Monte Carlo algorithms for expectation values of coordinate operators

  R. N. Barnett;R. N. Barnett;P. J. Reynolds;P. J. Reynolds;W. A. Lester;W. A. Lester

  152
  Citations

• Geometric, energetic, and bonding properties of neutral and charged copper-doped silicon clusters

  Chuanyun Xiao;Frank Hagelberg;William A. Lester

  149
  Citations

• Theoretical study of inelastic scattering of H2 by Li+ on SCF and CI potential energy surfaces

  Joachim Schaefer;William A. Lester

  143
  Citations

• Quantum Monte Carlo for the Electronic Structure of Atoms and Molecules

  William A. Lester;Brian L. Hammond

  143
  Citations

• Nonadiabatic effects in the collision of F(2P) with H2(1Σg+). III. Scattering theory and coupled‐channel computations

  Frank Rebentrost;William A. Lester

  133
  Citations

• Trajectory studies of O+H2 reactions on fitted abinitio surfaces. II. Singlet case

  Reinhard Schinke;William A. Lester

  132
  Citations

• ELECTRONIC STRUCTURE OF VINOXY RADICAL CH2CHO

  M. Dupuis;J. J. Wendoloski;J. J. Wendoloski;W. A. Lester

  131
  Citations

• Proton-H2 scattering on an ab initio CI potential energy surface. I. Vibrational excitation at 10 eV

  R. Schinke;R. Schinke;M. Dupuis;W. A. Lester;W. A. Lester

  130
  Citations

• Product state distributions in the reaction O(1D2)+H2→OH+H: Comparison of experiment with theory

  A. C. Luntz;R. Schinke;W. A. Lester;Hs. H. Günthard

  127
  Citations

• Gaussian Correlation Functions: Two‐Electron Systems

  William A. Lester;Morris Krauss

  123
  Citations

• The calculation of excited states with quantum Monte Carlo. II. Vibrational excited states

  B. Bernu;D. M. Ceperley;W. A. Lester

  122
  Citations

• Nonadiabatic effects in the collision of F(2P) with H2(1Σ+g). II. Born–Oppenheimer and angular momentum coupling in adiabatic and diabatic representations

  Frank Rebentrost;William A. Lester

  116
  Citations

• Nonadiabatic effects in the collision of F(2P) with H2(1Σ+g). I. SCF interaction potentials for the 1 2A′, 2 2A′, and 2A″ states in the reactant region

  Frank Rebentrost;William A. Lester

  116
  Citations

• Formaldehyde: Abinitio MCSCF+CI transition state for H2CO → CO+H2 on the S0 surface

  Michel Dupuis;W. A. Lester;B. H. Lengsfield;B. Liu

  115
  Citations