799 related articles for article (PubMed ID: 20590176)
1. Non-Born-Oppenheimer quantum chemistry on the fly with continuous path branching due to nonadiabatic and intense optical interactions.
Yonehara T; Takatsuka K
J Chem Phys; 2010 Jun; 132(24):244102. PubMed ID: 20590176
[TBL] [Abstract][Full Text] [Related]
2. Non-Born-Oppenheimer electronic and nuclear wavepacket dynamics.
Yonehara T; Takahashi S; Takatsuka K
J Chem Phys; 2009 Jun; 130(21):214113. PubMed ID: 19508062
[TBL] [Abstract][Full Text] [Related]
3. Exploring dynamical electron theory beyond the Born-Oppenheimer framework: from chemical reactivity to non-adiabatically coupled electronic and nuclear wavepackets on-the-fly under laser field.
Takatsuka K; Yonehara T
Phys Chem Chem Phys; 2011 Mar; 13(11):4987-5016. PubMed ID: 21321712
[TBL] [Abstract][Full Text] [Related]
4. Nonadiabatic electron wavepacket dynamics of molecules in an intense optical field: an ab initio electronic state study.
Yonehara T; Takatsuka K
J Chem Phys; 2008 Apr; 128(15):154104. PubMed ID: 18433187
[TBL] [Abstract][Full Text] [Related]
5. Electron wavepacket dynamics in highly quasi-degenerate coupled electronic states: a theory for chemistry where the notion of adiabatic potential energy surface loses the sense.
Yonehara T; Takatsuka K
J Chem Phys; 2012 Dec; 137(22):22A520. PubMed ID: 23249057
[TBL] [Abstract][Full Text] [Related]
6. Phase-space averaging and natural branching of nuclear paths for nonadiabatic electron wavepacket dynamics.
Yonehara T; Takatsuka K
J Chem Phys; 2008 Oct; 129(13):134109. PubMed ID: 19045080
[TBL] [Abstract][Full Text] [Related]
7. Electronic quantum effects mapped onto non-Born-Oppenheimer nuclear paths: nonclassical surmounting over potential barriers and trapping above the transition states due to nonadiabatic path-branching.
Yamamoto K; Takatsuka K
J Chem Phys; 2014 Mar; 140(12):124111. PubMed ID: 24697428
[TBL] [Abstract][Full Text] [Related]
8. Nonadiabatic chemical dynamics in an intense laser field: electronic wave packet coupled with classical nuclear motions.
Yagi K; Takatsuka K
J Chem Phys; 2005 Dec; 123(22):224103. PubMed ID: 16375466
[TBL] [Abstract][Full Text] [Related]
9. Generalization of classical mechanics for nuclear motions on nonadiabatically coupled potential energy surfaces in chemical reactions.
Takatsuka K
J Phys Chem A; 2007 Oct; 111(41):10196-204. PubMed ID: 17676718
[TBL] [Abstract][Full Text] [Related]
10. Non-Born-Oppenheimer path in anti-Hermitian dynamics for nonadiabatic transitions.
Takatsuka K
J Chem Phys; 2006 Feb; 124(6):64111. PubMed ID: 16483200
[TBL] [Abstract][Full Text] [Related]
11. Quantum fluctuation of electronic wave-packet dynamics coupled with classical nuclear motions.
Amano M; Takatsuka K
J Chem Phys; 2005 Feb; 122(8):84113. PubMed ID: 15836026
[TBL] [Abstract][Full Text] [Related]
12. Non-Born-Oppenheimer molecular dynamics.
Jasper AW; Nangia S; Zhu C; Truhlar DG
Acc Chem Res; 2006 Feb; 39(2):101-8. PubMed ID: 16489729
[TBL] [Abstract][Full Text] [Related]
13. Path integral formulation for quantum nonadiabatic dynamics and the mixed quantum classical limit.
Krishna V
J Chem Phys; 2007 Apr; 126(13):134107. PubMed ID: 17430016
[TBL] [Abstract][Full Text] [Related]
14. Combining quantum wavepacket ab initio molecular dynamics with QM/MM and QM/QM techniques: Implementation blending ONIOM and empirical valence bond theory.
Sumner I; Iyengar SS
J Chem Phys; 2008 Aug; 129(5):054109. PubMed ID: 18698890
[TBL] [Abstract][Full Text] [Related]
15. Multistage ab initio quantum wavepacket dynamics for electronic structure and dynamics in open systems: momentum representation, coupled electron-nuclear dynamics, and external fields.
Pacheco AB; Iyengar SS
J Chem Phys; 2011 Feb; 134(7):074107. PubMed ID: 21341828
[TBL] [Abstract][Full Text] [Related]
16. Excited electronic states and nonadiabatic effects in contemporary chemical dynamics.
Mahapatra S
Acc Chem Res; 2009 Aug; 42(8):1004-15. PubMed ID: 19456094
[TBL] [Abstract][Full Text] [Related]
17. Path-branching representation for nonadiabatic electron dynamics in conical intersection.
Yonehara T; Takatsuka K
J Phys Chem A; 2013 Sep; 117(36):8599-608. PubMed ID: 23527574
[TBL] [Abstract][Full Text] [Related]
18. Single surface beyond Born-Oppenheimer equation for a three-state model Hamiltonian of Na3 cluster.
Kumar Paul A; Sardar S; Sarkar B; Adhikari S
J Chem Phys; 2009 Sep; 131(12):124312. PubMed ID: 19791886
[TBL] [Abstract][Full Text] [Related]
19. A field theoretical approach to calculate electronic Born-Oppenheimer coupling terms.
Vértesi T; Vibók A; Halász GJ; Baer M
J Chem Phys; 2004 Sep; 121(9):4000-13. PubMed ID: 15332946
[TBL] [Abstract][Full Text] [Related]
20. Theory of molecular nonadiabatic electron dynamics in condensed phases.
Takatsuka K
J Chem Phys; 2017 Nov; 147(17):174102. PubMed ID: 29117691
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
