Concepedia

John M. Millam

JM

Statistics

Publications

13

Citations

2.8K

H-Index

13

Active since

1994

Affiliations

Wayne State University(Current)

Rice University

Center for Nanoscale Science and Technology

University of Utah

John M. Millam is an author at Wayne State University specializing in natural sciences, chemistry, and computational chemistry.

Publications per year

1994–2003

13

Publications

13

<i>Ab initio</i> molecular dynamics: Propagating the density matrix with Gaussian orbitals

H. Bernhard Schlegel, John M. Millam, Srinivasan S. Iyengar et al. · The Journal of Chemical Physics · 2001 · 609 citations · Full text

, , +17

<i>Ab initio</i> molecular dynamics: Propagating the density matrix with Gaussian orbitals. III. Comparison with Born–Oppenheimer dynamics

H. Bernhard Schlegel, Srinivasan S. Iyengar, Xiaosong Li et al. · The Journal of Chemical Physics · 2002 · 512 citations

, , +17

<i>Ab initio</i> molecular dynamics: Propagating the density matrix with Gaussian orbitals. II. Generalizations based on mass-weighting, idempotency, energy conservation and choice of initial conditions

Srinivasan S. Iyengar, H. Bernhard Schlegel, John M. Millam et al. · The Journal of Chemical Physics · 2001 · 436 citations

, , +16

<i>Ab initio</i> classical trajectories on the Born–Oppenheimer surface: Hessian-based integrators using fifth-order polynomial and rational function fits

John M. Millam, Vebjo rn Bakken, Wei Chen et al. · The Journal of Chemical Physics · 1999 · 310 citations · Full text

, , +17

Linear scaling conjugate gradient density matrix search as an alternative to diagonalization for first principles electronic structure calculations

John M. Millam, Gustavo E. Scuseria · The Journal of Chemical Physics · 1997 · 269 citations

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