标题
Parallelization of a multiconfigurational perturbation theory
作者
关键词
-
出版物
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume 34, Issue 22, Pages 1937-1948
出版商
Wiley
发表日期
2013-06-07
DOI
10.1002/jcc.23342
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Low-Energy States of Manganese–Oxo Corrole and Corrolazine: Multiconfiguration Reference ab Initio Calculations
- (2012) Hailiang Zhao et al. INORGANIC CHEMISTRY
- New implementation of the configuration-based multi-reference second order perturbation theory
- (2012) Yibo Lei et al. JOURNAL OF CHEMICAL PHYSICS
- A spin-adapted size-extensive state-specific multi-reference perturbation theory. I. Formal developments
- (2012) Shuneng Mao et al. JOURNAL OF CHEMICAL PHYSICS
- A perspective on the CASPT2 method
- (2011) Peter Pulay INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Quasi-degenerate second-order perturbation theory for occupation restricted multiple active space self-consistent field reference functions
- (2011) Luke Roskop et al. JOURNAL OF CHEMICAL PHYSICS
- The GPU Computing Era
- (2010) John Nickolls et al. IEEE MICRO
- Utilizing high performance computing for chemistry: parallel computational chemistry
- (2010) Wibe A. de Jong et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Azacrown ether–copper(ii)–hexanoate complexes. From monomer to 1-D metal organic polymer
- (2009) Kamil Wojciechowski et al. DALTON TRANSACTIONS
- MOLCAS 7: The Next Generation
- (2009) Francesco Aquilante et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- MOLCAS 7.2 MOLCAS 7.2 . MOLCAS, Department of Theoretical Chemistry Lund University, Chemical Center, P.O. Box 124, S-221 00 Lund, Sweden . http://www.teokem.lu.se/molcas/ .See Web site for pricing information.
- (2009) James A. Duncan JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- The restricted active space followed by second-order perturbation theory method: Theory and application to the study of CuO2 and Cu2O2 systems
- (2008) Per Åke Malmqvist et al. JOURNAL OF CHEMICAL PHYSICS
- Accurate ab initio density fitting for multiconfigurational self-consistent field methods
- (2008) Francesco Aquilante et al. JOURNAL OF CHEMICAL PHYSICS
- Cholesky Decomposition-Based Multiconfiguration Second-Order Perturbation Theory (CD-CASPT2): Application to the Spin-State Energetics of CoIII(diiminato)(NPh)
- (2008) Francesco Aquilante et al. Journal of Chemical Theory and Computation
- GPU Computing
- (2008) J.D. Owens et al. PROCEEDINGS OF THE IEEE
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started