Analytic derivative couplings between configuration-interaction-singles states with built-in electron-translation factors for translational invariance
出版年份 2011 全文链接
标题
Analytic derivative couplings between configuration-interaction-singles states with built-in electron-translation factors for translational invariance
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 135, Issue 23, Pages 234105
出版商
AIP Publishing
发表日期
2011-12-20
DOI
10.1063/1.3665031
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。- Phase-corrected surface hopping: Correcting the phase evolution of the electronic wavefunction
- (2011) Neil Shenvi et al. JOURNAL OF CHEMICAL PHYSICS
- Nonadiabatic Excited-State Molecular Dynamics Modeling of Photoinduced Dynamics in Conjugated Molecules
- (2011) Tammie Nelson et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Columbus-a program system for advanced multireference theory calculations
- (2011) Hans Lischka et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Derivative studies in hartree-fock and møller-plesset theories
- (2010) J. A. Pople et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Nonadiabatic coupling vectors for excited states within time-dependent density functional theory in the Tamm–Dancoff approximation and beyond
- (2010) Ivano Tavernelli et al. JOURNAL OF CHEMICAL PHYSICS
- First-order nonadiabatic couplings from time-dependent hybrid density functional response theory: Consistent formalism, implementation, and performance
- (2010) Robert Send et al. JOURNAL OF CHEMICAL PHYSICS
- The ab initio calculation of molecular electric, magnetic and geometric properties
- (2010) Radovan Bast et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Nonadiabatic couplings from the Kohn-Sham derivative matrix: Formulation by time-dependent density-functional theory and evaluation in the pseudopotential framework
- (2010) Chunping Hu et al. PHYSICAL REVIEW A
- All-electron calculation of nonadiabatic couplings from time-dependent density functional theory: Probing with the Hartree–Fock exact exchange
- (2009) Chunping Hu et al. JOURNAL OF CHEMICAL PHYSICS
- On nonadiabatic coupling vectors in time-dependent density functional theory
- (2009) Ivano Tavernelli et al. JOURNAL OF CHEMICAL PHYSICS
- Nonadiabatic coupling vectors within linear response time-dependent density functional theory
- (2009) Ivano Tavernelli et al. JOURNAL OF CHEMICAL PHYSICS
- Quasidiabatic states described by coupled-cluster theory
- (2009) Takatoshi Ichino et al. JOURNAL OF CHEMICAL PHYSICS
- Analytic evaluation of the nonadiabatic coupling vector between excited states using equation-of-motion coupled-cluster theory
- (2009) Attila Tajti et al. JOURNAL OF CHEMICAL PHYSICS
- Photodynamics Simulations of Thymine: Relaxation into the First Excited Singlet State†
- (2009) Jaroslaw J. Szymczak et al. JOURNAL OF PHYSICAL CHEMISTRY A
- A time resolved study of S1/S2 electronic coupling in naphthalene
- (2008) Raúl Montero et al. CHEMICAL PHYSICS LETTERS
- Nonadiabatic couplings from time-dependent density functional theory. II. Successes and challenges of the pseudopotential approximation
- (2008) Chunping Hu et al. JOURNAL OF CHEMICAL PHYSICS
- Nonadiabatic Deactivation of 9H-Adenine: A Comprehensive Picture Based on Mixed Quantum−Classical Dynamics
- (2008) Mario Barbatti et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Optimizing Conical Intersections without Derivative Coupling Vectors: Application to Multistate Multireference Second-Order Perturbation Theory (MS-CASPT2)†
- (2007) Benjamin G. Levine et al. JOURNAL OF PHYSICAL CHEMISTRY B
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started