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Volumn 134, Issue 13, 2011, Pages

Renormalization of the frozen Gaussian approximation to the quantum propagator

Author keywords

[No Author keywords available]

Indexed keywords

DEGREES OF FREEDOM; FORCE FIELDS; GAUSSIAN APPROXIMATIONS; GAUSSIANS; MONODROMY MATRIX; MORSE OSCILLATOR; NUMERICAL EXAMPLE; ON THE FLIES; PREFACTORS; QUANTUM DYNAMICAL INFORMATIONS; QUARTIC DOUBLE WELLS; RENORMALIZATION; SECOND DERIVATIVES; THEORETICAL DEVELOPMENT; UNITARITY;

EID: 79954539610     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3573566     Document Type: Article
Times cited : (28)

References (44)
  • 1
    • 36849114078 scopus 로고
    • 10.1063/1.1674535
    • W. H. Miller, J. Chem. Phys. 53, 3578 (1970). 10.1063/1.1674535
    • (1970) J. Chem. Phys. , vol.53 , pp. 3578
    • Miller, W.H.1
  • 2
    • 36749113388 scopus 로고
    • 10.1063/1.442382
    • E. J. Heller, J. Chem. Phys. 75, 2923 (1981). 10.1063/1.442382
    • (1981) J. Chem. Phys. , vol.75 , pp. 2923
    • Heller, E.J.1
  • 3
    • 4243938937 scopus 로고
    • 10.1016/0301-0104(84)80039-7
    • M. F. Herman and E. Kluk, Chem. Phys. 91, 27 (1984). 10.1016/0301- 0104(84)80039-7
    • (1984) Chem. Phys. , vol.91 , pp. 27
    • Herman, M.F.1    Kluk, E.2
  • 4
    • 36449004965 scopus 로고
    • 10.1063/1.466320
    • K. G. Kay, J. Chem. Phys. 100, 4377, (1994) 10.1063/1.466320
    • (1994) J. Chem. Phys. , vol.100 , pp. 4377
    • Kay, K.G.1
  • 5
    • 0000463214 scopus 로고
    • 10.1063/1.467665
    • K. G. Kay, J. Chem. Phys. 101, 2250 (1994). 10.1063/1.467665
    • (1994) J. Chem. Phys. , vol.101 , pp. 2250
    • Kay, K.G.1
  • 9
    • 0035810449 scopus 로고    scopus 로고
    • The semiclassical initial value representation: A potentially practical way for adding quantum effects to classical molecular dynamics simulations
    • DOI 10.1021/jp003712k
    • W. H. Miller, J. Phys. Chem. A 105, 2942 (2001). 10.1021/jp003712k (Pubitemid 35373060)
    • (2001) Journal of Physical Chemistry A , vol.105 , Issue.13 , pp. 2942-2955
    • Miller, W.H.1
  • 10
    • 23844479970 scopus 로고    scopus 로고
    • Semiclassical initial value treatments of atoms and molecules
    • DOI 10.1146/annurev.physchem.56.092503.141257
    • K. G. Kay, Annu. Rev. Phys. Chem. 56, 255 (2005). 10.1146/annurev. physchem.56.092503.141257 (Pubitemid 41156879)
    • (2005) Annual Review of Physical Chemistry , vol.56 , pp. 255-280
    • Kay, K.G.1
  • 11
  • 15
    • 0034497476 scopus 로고    scopus 로고
    • Basis set approach to the quantum dissipative dynamics: Application of the multiconfiguration time-dependent Hartree method to the spin-boson problem
    • DOI 10.1063/1.1323746
    • H. Wang, J. Chem. Phys. 113, 9948 (2000). 10.1063/1.1323746 (Pubitemid 32076889)
    • (2000) Journal of Chemical Physics , vol.113 , Issue.22 , pp. 9948-9956
    • Wang, H.1
  • 16
    • 0042767657 scopus 로고    scopus 로고
    • 10.1063/1.1580111
    • H. Wang and M. Thoss, J. Chem. Phys. 119, 1289 (2003). 10.1063/1.1580111
    • (2003) J. Chem. Phys. , vol.119 , pp. 1289
    • Wang, H.1    Thoss, M.2
  • 17
    • 0034506638 scopus 로고    scopus 로고
    • Time dependent quantum propagation in phase space
    • DOI 10.1063/1.1322075
    • D. V. Shalashilin and M. S. Child, J. Chem. Phys. 113, 10028 (2000); 10.1063/1.1322075 (Pubitemid 32076896)
    • (2000) Journal of Chemical Physics , vol.113 , Issue.22 , pp. 10028-10036
    • Shalashilin, D.V.1    Child, M.S.2
  • 18
    • 0035366546 scopus 로고    scopus 로고
    • Description of tunneling with the help of coupled frozen Gaussians
    • DOI 10.1063/1.1367392
    • D. V. Shalashilin and M. S. Child, J. Chem. Phys. 114, 9296 (2001). 10.1063/1.1367392 (Pubitemid 32535598)
    • (2001) Journal of Chemical Physics , vol.114 , Issue.21 , pp. 9296-9304
    • Shalashilin, D.V.1    Child, M.S.2
  • 20
    • 4143114895 scopus 로고    scopus 로고
    • 10.1016/j.chemphys.2004.06.013
    • D. V. Shalashilin and M. S. Child, Chem. Phys. 304, 103 (2004). 10.1016/j.chemphys.2004.06.013
    • (2004) Chem. Phys. , vol.304 , pp. 103
    • Shalashilin, D.V.1    Child, M.S.2
  • 22
    • 42649124288 scopus 로고    scopus 로고
    • Basis set sampling in the method of coupled coherent states: Coherent state swarms, trains, and pancakes
    • DOI 10.1063/1.2828509
    • D. V. Shalashilin and M. S. Child, J. Chem. Phys. 128, 054102 (2008). 10.1063/1.2828509 (Pubitemid 351598436)
    • (2008) Journal of Chemical Physics , vol.128 , Issue.5 , pp. 054102
    • Shalashilin, D.V.1    Child, M.S.2
  • 26
    • 34548439496 scopus 로고    scopus 로고
    • Phase quantization of chaos in the semiclassical regime
    • DOI 10.1063/1.2772274
    • S. Takahashi and K. Takatsuka, J. Chem. Phys. 127, 084112 (2007). 10.1063/1.2772274 (Pubitemid 47352507)
    • (2007) Journal of Chemical Physics , vol.127 , Issue.8 , pp. 084112
    • Takahashi, S.1    Takatsuka, K.2
  • 28
    • 36549094003 scopus 로고
    • 10.1063/1.451150
    • M. F. Herman, J. Chem. Phys. 85, 2069 (1986). 10.1063/1.451150
    • (1986) J. Chem. Phys. , vol.85 , pp. 2069
    • Herman, M.F.1
  • 29
  • 30
    • 33750439122 scopus 로고    scopus 로고
    • Forward-backward semiclassical initial value series representation of quantum correlation functions
    • DOI 10.1063/1.2358985
    • E. Martin-Fierro and E. Pollak, J. Chem. Phys. 125, 164104 (2006). 10.1063/1.2358985 (Pubitemid 44658342)
    • (2006) Journal of Chemical Physics , vol.125 , Issue.16 , pp. 164104
    • Martin-Fierro, E.1    Pollak, E.2
  • 31
    • 34247635669 scopus 로고    scopus 로고
    • New coherent state representation for the imaginary time propagator with applications to forward-backward semiclassical initial value representations of correlation functions
    • DOI 10.1063/1.2714518
    • E. Pollak and E. Martin-Fierro, J. Chem. Phys. 126, 164107 (2007). 10.1063/1.2714518 (Pubitemid 46685437)
    • (2007) Journal of Chemical Physics , vol.126 , Issue.16 , pp. 164107
    • Pollak, E.1    Martin-Fierro, E.2
  • 32
    • 34247628500 scopus 로고    scopus 로고
    • Semiclassical initial value series solution of the spin boson problem
    • DOI 10.1063/1.2714520
    • E. Martin-Fierro and E. Pollak, J. Chem. Phys. 126, 164108 (2007). 10.1063/1.2714520 (Pubitemid 46685438)
    • (2007) Journal of Chemical Physics , vol.126 , Issue.16 , pp. 164108
    • Martin-Fierro, E.1    Pollak, E.2
  • 33
    • 0347477217 scopus 로고    scopus 로고
    • 10.1103/PhysRevLett.91.190201
    • S. Zhang and E. Pollak, Phys. Rev. Lett. 91, 190201 (2003); 10.1103/PhysRevLett.91.190201
    • (2003) Phys. Rev. Lett. , vol.91 , pp. 190201
    • Zhang, S.1    Pollak, E.2
  • 38
    • 3342952194 scopus 로고    scopus 로고
    • 10.1021/jp049547g
    • Q. Shi and E. Geva, J. Phys. Chem. A 108, 6109 (2004). 10.1021/jp049547g
    • (2004) J. Phys. Chem. A , vol.108 , pp. 6109
    • Shi, Q.1    Geva, E.2
  • 39
    • 22744451319 scopus 로고    scopus 로고
    • Vibrational energy relaxation rates via the linearized semiclassical approximation: Applications to neat diatomic liquids and atomic-diatomic liquid mixtures
    • DOI 10.1021/jp051223k
    • B. J. Ka, Q. Shi, and E. Geva, J. Phys. Chem. A 109, 5527 (2005). 10.1021/jp051223k (Pubitemid 41027872)
    • (2005) Journal of Physical Chemistry A , vol.109 , Issue.25 , pp. 5527-5536
    • Ka, B.J.1    Shi, Q.2    Geva, E.3
  • 40
    • 0002911251 scopus 로고
    • 10.1002/SERIES2007
    • W. H. Miller, Adv. Chem. Phys. 25, 69 (1974). 10.1002/SERIES2007
    • (1974) Adv. Chem. Phys. , vol.25 , pp. 69
    • Miller, W.H.1
  • 43
    • 0041565310 scopus 로고    scopus 로고
    • 10.5012/bkcs.2003.24.6.837
    • H. B. Schlegel Bul. Kor. Chem. Soc. 24, 837 (2003). 10.5012/bkcs.2003.24. 6.837
    • (2003) Bul. Kor. Chem. Soc. , vol.24 , pp. 837
    • Schlegel, H.B.1


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