Peter M. W. Gill

Publication Activity (10 Years)

Years Active: 1999-2023
Publications (10 Years): 1

Publications

Martin Mrovec, Peter M. W. Gill
How delocalized are the polyacenes? J. Comput. Chem. 45 (11) (2023)
H. Lee Woodcock III, Milan Hodoscek, Andrew T. B. Gilbert, Peter M. W. Gill, Henry F. Schaefer III, Bernard R. Brooks
Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations. J. Comput. Chem. 28 (9) (2007)
Siu-Hung Chien, Peter M. W. Gill
SG-0: A small standard grid for DFT quadrature on large systems. J. Comput. Chem. 27 (6) (2006)
Peter M. W. Gill, Siu-Hung Chien
Radial quadrature for multiexponential integrands. J. Comput. Chem. 24 (6) (2003)
Jing Kong, Christopher A. White, Anna I. Krylov, David Sherrill, Ross D. Adamson, Thomas R. Furlani, Michael S. Lee, Aaron M. Lee, Steven R. Gwaltney, Terry R. Adams, Christian Ochsenfeld, Andrew T. B. Gilbert, Gary S. Kedziora, Vitaly A. Rassolov, David R. Maurice, Nikhil Nair, Yihan Shao, Nicholas A. Besley, Paul E. Maslen, Jeremy P. Dombroski, Holger Daschel, Weimin Zhang, Prakashan P. Korambath, Jon Baker, Edward F. C. Byrd, Troy A. Van Voorhis, Manabu Oumi, So Hirata, Chao-Ping Hsu, Naoto Ishikawa, Jan Florián, Arieh Warshel, Benny G. Johnson, Peter M. W. Gill, Martin Head-Gordon, John A. Pople
Q-Chem 2.0: a high-performance ab initio electronic structure program package. J. Comput. Chem. 21 (16) (2000)
Peter M. W. Gill, Andrew T. B. Gilbert, Terry R. Adams
Rapid evaluation of two-center two-electron integrals. J. Comput. Chem. 21 (16) (2000)
Ross D. Adamson, Jeremy P. Dombroski, Peter M. W. Gill
Efficient calculation of short-range Coulomb energies. J. Comput. Chem. 20 (9) (1999)