2007 |
6 | EE | Yousung Jung,
Yihan Shao,
Martin Head-Gordon:
Fast evaluation of scaled opposite spin second-order Møller-Plesset correlation energies using auxiliary basis expansions and exploiting sparsity.
Journal of Computational Chemistry 28(12): 1953-1964 (2007) |
5 | EE | Robert A. Distasio Jr.,
Ryan P. Steele,
Young Min Rhee,
Yihan Shao,
Martin Head-Gordon:
An improved algorithm for analytical gradient evaluation in resolution-of-the-identity second-order Møller-Plesset perturbation theory: Application to alanine tetrapeptide conformational analysis.
Journal of Computational Chemistry 28(5): 839-856 (2007) |
2003 |
4 | EE | Martin Head-Gordon,
Troy A. Van Voorhis,
Gregory J. O. Beran,
Barry Dunietz:
Local Correlation Models.
International Conference on Computational Science 2003: 96-102 |
3 | EE | Chandra Saravanan,
Yihan Shao,
Roi Baer,
Philip N. Ross,
Martin Head-Gordon:
Sparse matrix multiplications for linear scaling electronic structure calculations in an atom-centered basis set using multiatom blocks.
Journal of Computational Chemistry 24(5): 618-622 (2003) |
2000 |
2 | EE | Michael S. Lee,
Martin Head-Gordon:
Absolute and Relative Energies From Polarized Atomic Orbital Self-consistent Field Calculations and a Second Order Correction.: Convergence with Size and Composition of the Secondary Basis.
Computers & Chemistry 24(3-4): 295-301 (2000) |
1 | EE | 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.
Journal of Computational Chemistry 21(16): 1532-1548 (2000) |