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273 related items for PubMed ID: 19894938

  • 1. Time-dependent multiconfiguration theory for describing molecular dynamics in diatomic-like molecules.
    Kato T, Yamanouchi K.
    J Chem Phys; 2009 Oct 28; 131(16):164118. PubMed ID: 19894938
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  • 2. Time-dependent multiconfiguration theory for electronic dynamics of molecules in intense laser fields: a description in terms of numerical orbital functions.
    Kato T, Kono H.
    J Chem Phys; 2008 May 14; 128(18):184102. PubMed ID: 18532794
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  • 3. 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 21; 128(15):154104. PubMed ID: 18433187
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  • 4. 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 28; 132(24):244102. PubMed ID: 20590176
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  • 6. Non-Born-Oppenheimer treatment of the H2 Hookean molecule.
    Ludeña EV, Lopez X, Ugalde JM.
    J Chem Phys; 2005 Jul 08; 123(2):24102. PubMed ID: 16050736
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  • 7. Explicit dynamical electron-proton correlation in the nuclear-electronic orbital framework.
    Swalina C, Pak MV, Chakraborty A, Hammes-Schiffer S.
    J Phys Chem A; 2006 Aug 24; 110(33):9983-7. PubMed ID: 16913669
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  • 8. Nonvariational time-dependent multiconfiguration self-consistent field equations for electronic dynamics in laser-driven molecules.
    Nguyen-Dang TT, Peters M, Wang SM, Sinelnikov E, Dion F.
    J Chem Phys; 2007 Nov 07; 127(17):174107. PubMed ID: 17994807
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  • 9. Non-Born-Oppenheimer electronic and nuclear wavepacket dynamics.
    Yonehara T, Takahashi S, Takatsuka K.
    J Chem Phys; 2009 Jun 07; 130(21):214113. PubMed ID: 19508062
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  • 10. Impact of nuclear quantum effects on the molecular structure of bihalides and the hydrogen fluoride dimer.
    Swalina C, Hammes-Schiffer S.
    J Phys Chem A; 2005 Nov 17; 109(45):10410-7. PubMed ID: 16833338
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  • 12. 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 08; 123(22):224103. PubMed ID: 16375466
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  • 18. 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 07; 129(5):054109. PubMed ID: 18698890
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