Peter M. W. Gill

According to our database, Peter M. W. Gill authored at least 7 papers between 1999 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2023

How delocalized are the polyacenes?

Martin Mrovec, Peter M. W. Gill

J. Comput. Chem., April, 2023

2007

Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations.

H. Lee Woodcock III, Milan Hodoscek, Andrew T. B. Gilbert, Peter M. W. Gill, Henry F. Schaefer III, Bernard R. Brooks

J. Comput. Chem., 2007

2006

SG-0: A small standard grid for DFT quadrature on large systems.

Siu-Hung Chien, Peter M. W. Gill

J. Comput. Chem., 2006

2003

Radial quadrature for multiexponential integrands.

Peter M. W. Gill, Siu-Hung Chien

J. Comput. Chem., 2003

2000

Q-Chem 2.0: a high-performance ab initio electronic structure program package.

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

J. Comput. Chem., 2000

Rapid evaluation of two-center two-electron integrals.

Peter M. W. Gill, Andrew T. B. Gilbert, Terry R. Adams

J. Comput. Chem., 2000

1999

Efficient calculation of short-range Coulomb energies.

Ross D. Adamson, Jeremy P. Dombroski, Peter M. W. Gill

J. Comput. Chem., 1999