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浏览/检索结果: 共3条，第1-3条 帮助 限定条件 发表日期：2014     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 First order nonadiabatic coupling matrix elements between excited states: Implementation and application at the TD-DFT and pp-TDA levels 期刊论文 JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 141, 期号: 24 作者:  Li, Zhendong;  Suo, Bingbing;  Liu, Wenjian 收藏  |  浏览/下载：19/0  |  提交时间：2019/04/09 First-order nonadiabatic coupling matrix elements between excited states: A Lagrangian formulation at the CIS, RPA, TD-HF, and TD-DFT levels 期刊论文 journal of chemical physics, 2014 Li, Zhendong; Liu, Wenjian 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/12 DENSITY-FUNCTIONAL THEORY  TAMM-DANCOFF APPROXIMATION  CONICAL INTERSECTIONS  RESPONSE FUNCTIONS  PERTURBATION-THEORY  ENERGY DERIVATIVES  WAVE-FUNCTIONS  QUASI-ENERGY   First order nonadiabatic coupling matrix elements between excited states: Implementation and application at the TD-DFT and pp-TDA levels 期刊论文 journal of chemical physics, 2014 Li, Zhendong; Suo, Bingbing; Liu, Wenjian 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/11 CORRELATED MOLECULAR CALCULATIONS  DENSITY-FUNCTIONAL THEORY  GAUSSIAN-BASIS SETS  ENERGY DERIVATIVES  RESPONSE FUNCTIONS  WAVE-FUNCTIONS  PROGRAM PACKAGE  QUASI-ENERGY  BDF