Q‐Chem 2.0: a high‐performance ab initio electronic structure program package
By Jing Kong, C. A. White, Anna I. Krylov, David Sherrill, R. D. Adamson, T. Furlani, Michael S. Lee, Aaron M. Lee, S. Gwaltney, Terry R. Adams and 26 more. Journal of Computational Chemistry, 2000
453 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Physical and Theoretical Chemistry
View Paper: https://www.semanticscholar.org/paper/7b120b3d0c9d911dced5210b726eadc2b0d9e2d3
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In Atomic and Molecular Physics, and Optics
- Gleb F. Gribakin
- J. Young
- Peter M. W. Gill
- Anna I. Krylov
- C. Surko
- Jimena D. Gorfinkiel
- S. Ptasińska
In Physical and Theoretical Chemistry
Citations in the corpus
- Positron-molecule interactions: Resonant attachment, annihilation, and bound states (2010, background): “For weakly bound positron-molecule complexes, these frequencies are close to those of the neutral molecule, and can be taken from experiment (Linstrom and Mallard, 2005) or quantum chemistry calculations (e.g., using Q-Chem, Kong et al. (2000)).”
- Advances, Applications and Performance of the Global Arrays Shared Memory Programming Toolkit (2006, methodology): “Some of the most widely used electronic structure codes make use of GA: NWChem [85], Columbus [86], MOLPRO [87], MOLCAS [88], QChem [89] and GAMESS-UK [90].”
- Q‐Chem: an engine for innovation (2013, methodology): “36 Several flavors of coupled-cluster (CC)-based methods are available: optimized-orbitals and Bruekner CCD (coupled-cluster doubles), quadratic CCD, valence optimized orbitals CCD, and a variety of perturbative higher-order corrections such as (T), (2), (dT), (fT), and so forth.”