780 related articles for article (PubMed ID: 15836026)
1. 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]
2. 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]
3. 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]
4. A time-dependent wave packet study of the vibronic and spin-orbit interactions in the dynamics of Cl((2)P)+H(2)-->HCl(X (1)Sigma(g) (+))+H((2)S) reaction.
Ghosal S; Mahapatra S
J Chem Phys; 2004 Sep; 121(12):5740-53. PubMed ID: 15366998
[TBL] [Abstract][Full Text] [Related]
5. A diabatic representation including both valence nonadiabatic interactions and spin-orbit effects for reaction dynamics.
Valero R; Truhlar DG
J Phys Chem A; 2007 Sep; 111(35):8536-51. PubMed ID: 17691756
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. 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]
8. Quantum wave packet ab initio molecular dynamics: an approach to study quantum dynamics in large systems.
Iyengar SS; Jakowski J
J Chem Phys; 2005 Mar; 122(11):114105. PubMed ID: 15836199
[TBL] [Abstract][Full Text] [Related]
9. 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]
10. Mean-field dynamics with stochastic decoherence (MF-SD): a new algorithm for nonadiabatic mixed quantum/classical molecular-dynamics simulations with nuclear-induced decoherence.
Bedard-Hearn MJ; Larsen RE; Schwartz BJ
J Chem Phys; 2005 Dec; 123(23):234106. PubMed ID: 16392913
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. Multistate vibronic interactions in difluorobenzene radical cations. II. Quantum dynamical simulations.
Faraji S; Meyer HD; Köppel H
J Chem Phys; 2008 Aug; 129(7):074311. PubMed ID: 19044771
[TBL] [Abstract][Full Text] [Related]
13. Theoretical spectroscopy of the calcium dimer in the A 1Sigma(u)+, c3Pi(u), and a3Sigma(u)+ manifolds: an ab initio nonadiabatic treatment.
Bussery-Honvault B; Launay JM; Korona T; Moszynski R
J Chem Phys; 2006 Sep; 125(11):114315. PubMed ID: 16999482
[TBL] [Abstract][Full Text] [Related]
14. First ultraviolet absorption band of methane: an ab initio study.
van Harrevelt R
J Chem Phys; 2007 May; 126(20):204313. PubMed ID: 17552768
[TBL] [Abstract][Full Text] [Related]
15. Theoretical study of excitations in furan: spectra and molecular dynamics.
Gromov EV; Trofimov AB; Vitkovskaya NM; Köppel H; Schirmer J; Meyer HD; Cederbaum LS
J Chem Phys; 2004 Sep; 121(10):4585-98. PubMed ID: 15332889
[TBL] [Abstract][Full Text] [Related]
16. Semiclassical description of electronically nonadiabatic dynamics via the initial value representation.
Ananth N; Venkataraman C; Miller WH
J Chem Phys; 2007 Aug; 127(8):084114. PubMed ID: 17764236
[TBL] [Abstract][Full Text] [Related]
17. Nonadiabatic molecular dynamics simulations of correlated electrons in solution. 1. Full configuration interaction (CI) excited-state relaxation dynamics of hydrated dielectrons.
Larsen RE; Schwartz BJ
J Phys Chem B; 2006 May; 110(19):9681-91. PubMed ID: 16686519
[TBL] [Abstract][Full Text] [Related]
18. Ab initio potential energy surfaces and nonadiabatic interactions in the H+ +NO collision system.
Amaran S; Kumar S; Köppel H
J Chem Phys; 2008 Mar; 128(12):124305. PubMed ID: 18376917
[TBL] [Abstract][Full Text] [Related]
19. Semiclassical nonadiabatic dynamics based on quantum trajectories for the O(3P,1D) + H2 system.
Garashchuk S; Rassolov VA; Schatz GC
J Chem Phys; 2006 Jun; 124(24):244307. PubMed ID: 16821977
[TBL] [Abstract][Full Text] [Related]
20. A time-dependent density-functional approach to nonadiabatic electron-nucleus dynamics: formulation and photochemical application.
Hirai H; Sugino O
Phys Chem Chem Phys; 2009 Jun; 11(22):4570-8. PubMed ID: 19475177
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
