M. Feyereisen

发表

Use of approximate integrals in ab initio theory. An application in MP2 energy calculations

Martin W. Feyereisen, Andrew Komornicki, George Fitzgerald, 1993 .

Integral approximations for LCAO-SCF calculations

J. Almlöf, M. Feyereisen, O. Vahtras, 1993 .

An extended basis set ab initio study of alkali metal cation–water clusters

E. Glendening, M. Feyereisen, D. Feller, 1967 .

An evaluation of correlation‐consistent basis sets in calculating the structure and energetics of (H3Si)2O, H3SiOH, and H3SiO−

J. Nicholas, M. Feyereisen, 1995 .

Relative stabilities of fullerene, cumulene, and polyacetylene structures for Cn : n=18–60

J. Simons, J. Almlöf, M. Gutowski, 1992 .

The [18] all-carbon molecule: cumulene or polyacetylene?

J. Almlöf, M. Feyereisen, V. Parasuk, 1991 .

Photoemission, inverse photoemission, and ab initio SCF investigations of the electronic structure of polyimide

J. Almlöf, H. Meyer, J. H. Weaver, 1989 .

Electronic structure and near-infrared spectra of diquinone anion radicals

M. Feyereisen, L. Miller, T. Jozefiak, 1990 .

Mixed-valence, conjugated semiquinones

J. Almlöf, M. Feyereisen, L. Miller, 1989 .

Electronic Structure and Near-IR Spectra of Diquinone Anion Radicals.

M. Feyereisen, L. Miller, T. Jozefiak, 1990 .

Mixed-Valence, Conjugated Semiquinones.

M. Feyereisen, L. Miller, T. Jozefiak, 1989 .

Ab initio study of hydrogen bonding in the phenol–water system

David Feller, Martin W. Feyereisen, M. Feyereisen, 1993, J. Comput. Chem..

Simplified sum-over-states calculations and missing-orbital analysis on hyperpolarizabilities of benzene derivatives

J. Almlöf, T. Takada, M. Feyereisen, 1993 .

Hydrogen bond energy of the water dimer

David Feller, David A. Dixon, Martin W. Feyereisen, 1996 .

Direct atomic‐orbital‐based time‐dependent Hartree–Fock calculations of frequency‐dependent polarizabilities

Jeffrey A. Nichols, Martin Feyereisen, Jens Oddershede, 1992 .

A coarse‐grain parallel implementation of the direct SCF method

Hans Peter Lüthi, John E. Mertz, Jan Almlöf, 1992 .

Implementation of the direct SCF and RPA methods on loosely coupled networks of workstations

Jeff Nichols, Martin W. Feyereisen, Joseph T. Golab, 1993, J. Comput. Chem..

An efficient implementation of the direct-SCF algorithm on parallel computer architectures

Rick A. Kendall, Martin Feyereisen, R. Kendall, 1993 .

ABINITIO METHODS FOR LARGE SYSTEMS

Itai Panas, Martin W. Feyereisen, Jan Almlöf, 1991 .

Ab initio studies of substituted diamond-like carbon clusters

J. Almlöf, M. Feyereisen, C. Rohlfing, 1991 .

Exploiting non-abelian point group symmetry in direct two-electron integral transformations

J. Almlöf, Marco Häser, M. Feyereisen, 1991 .