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浏览/检索结果: 共5条，第1-5条 帮助 已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 A spin-adapted size-extensive state-specific multi-reference perturbation theory. I. Formal developments (vol 136, 024105, 2012) 期刊论文 JOURNAL OF CHEMICAL PHYSICS, 2012, 卷号: 136, 期号: 7 作者:  Mao, Shuneng;  Cheng, Lan;  Liu, Wenjian;  Mukherjee, Debashis 收藏  |  浏览/下载：14/0  |  提交时间：2019/04/09 Erratum: A spin-adapted size-extensive state-specific multi-reference perturbation theory. I. Formal developments (Journal of Chemical Physics (2012) 136 (024105)) 期刊论文 journal of chemical physics, 2012 Mao, Shuneng; Cheng, Lan; Liu, Wenjian; Mukherjee, Debashis 收藏  |  浏览/下载：1/0  |  提交时间：2015/11/12 A universal explicit electron correlation correction applied to Mukherjee's multi-reference perturbation theory 期刊论文 化学物理学快报, 2012 Haunschild, Robin; Mao, Shuneng; Mukherjee, Debashis; Klopper, Wim 收藏  |  浏览/下载：5/0  |  提交时间：2015/11/12 COUPLED-CLUSTER THEORY  MODEL-SPACE COEFFICIENTS  ZETA BASIS-SETS  WAVE-FUNCTIONS  TERMS  MOLECULES  CI   A spin-adapted size-extensive state-specific multi-reference perturbation theory with various partitioning schemes. II. Molecular applications 期刊论文 journal of chemical physics, 2012 Mao, Shuneng; Cheng, Lan; Liu, Wenjian; Mukherjee, Debashis 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/10 FULL CONFIGURATION-INTERACTION  COUPLED-CLUSTER THEORY  FIELD REFERENCE FUNCTION  MOLLER-PLESSET METHOD  BASIS-SET CONVERGENCE  GAUSSIAN-BASIS SETS  ELECTRONIC-STRUCTURE  CORRELATED CALCULATIONS  SYSTEMATIC SEQUENCES  DISSOCIATION-ENERGY   A spin-adapted size-extensive state-specific multi-reference perturbation schemes. I. Formal developments 期刊论文 journal of chemical physics, 2012 Mao, Shuneng; Cheng, Lan; Liu, Wenjian; Mukherjee, Debashis 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/10 COUPLED-CLUSTER THEORY  MANY-BODY PERTURBATION  INCOMPLETE MODEL SPACES  SINGLE-REFERENCE FORMALISM  APPROXIMATION-LIKE METHODS  CONSISTENT CONFIGURATION-INTERACTION  MOLECULAR ELECTRONIC-STRUCTURE  GENERALIZED MOLLER-PLESSET  FIELD REFERENCE FUNCTIONS  FULL CCSDT MODEL