2. 您的位置
3. 首页
4. 会议论文
5. First-order derivative couplings between excited states from pseudowavefunction ansatz:Comparison wi

First-order derivative couplings between excited states from pseudowavefunction ansatz:Comparison wi

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：brqc

【作 者】

：

Qi Ou Ethan Alguire Joseph Subotnik Shervin Fatehi Yihan Shao Filipp Furche Gregory Bellchambers 

【机 构】

：

Department of Chemistry,University of Pennsylvania,Philadelphia,PA 19104,USA

【出 处】

：

The 15th ICQC International Congress of Quantum Chemistry(第1

【发表日期】

：

2015年期

下载到本地 , 更方便阅读

下载此文 赞助VIP

声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架

论文部分内容阅读

其他文献

Application of dispersion-corrected DFT methods to large organic and organometallic complexes

会议

Transfer of excited energies from Trp residue to HSA and bound drug ligands

会议

Theoretical investigation on structural and electronic properties and photoinduced electron transfer

会议

DFT study of the heavy atoms co-ordination in complexes

会议

Non-orthogonal localized molecular orbitals apparoach Divide-and-Conque method

会议

A grid-based fast multipole method

会议

Towards an N-representable natural orbital functional theory

会议

Understanding reaction mechanisms of transition metal catalysts using ab initio methods

会议

Coupled Cluster Configuration Interaction(CC-CI)model:a new model for calculating molecular response

会议

Theoretical approach on the fluorenyl complexes:Inter-ring haptotropic rearrangements π-π

会议