메뉴 건너뛰기




Volumn 134, Issue 9, 2011, Pages

Benchmark calculations for dissipative dynamics of a system coupled to an anharmonic bath with the multiconfiguration time-dependent Hartree method

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC BATH; ANHARMONICITIES; APPROXIMATE SOLUTION; BENCHMARK CALCULATIONS; COHERENT STATE; DISSIPATIVE DYNAMICS; FREE PARAMETERS; HARMONIC OSCILLATORS; MICROSCOPIC HAMILTONIANS; MORSE OSCILLATOR; MULTICONFIGURATION; MULTICONFIGURATION TIME-DEPENDENT HARTREE METHOD; SELF-CONSISTENT FIELD; TEMPERATURE DEPENDENT; TIME-DEPENDENT;

EID: 79952498613     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3556940     Document Type: Article
Times cited : (24)

References (39)
  • 2
    • 0001468420 scopus 로고
    • 10.1103/PhysRev.178.2025
    • G. S. Agarwal, Phys. Rev. 178, 2025 (1969). 10.1103/PhysRev.178.2025
    • (1969) Phys. Rev. , vol.178 , pp. 2025
    • Agarwal, G.S.1
  • 8
    • 18044364426 scopus 로고    scopus 로고
    • Short-time dynamics through conical intersections in macrosystems
    • DOI 10.1103/PhysRevLett.94.113003, 113003
    • L. S. Cederbaum, E. Gindensberger, and I. Burghardt, Phys. Rev. Lett. 94, 113003 (2005). 10.1103/PhysRevLett.94.113003 (Pubitemid 40607107)
    • (2005) Physical Review Letters , vol.94 , Issue.11 , pp. 1-4
    • Cederbaum, L.S.1    Gindensperger, E.2    Burghardt, I.3
  • 10
    • 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
  • 11
    • 33750738895 scopus 로고    scopus 로고
    • Calculation of reactive flux correlation functions for systems in a condensed phase environment: A multilayer multiconfiguration time-dependent Hartree approach
    • DOI 10.1063/1.2363195
    • H. Wang, D. E. Skinner, and M. Thoss, J. Chem. Phys. 125, 174502 (2006). 10.1063/1.2363195 (Pubitemid 44707839)
    • (2006) Journal of Chemical Physics , vol.125 , Issue.17 , pp. 174502
    • Wang, H.1    Skinner, D.E.2    Thoss, M.3
  • 13
    • 4143081774 scopus 로고    scopus 로고
    • 10.1016/j.chemphys.2004.06.007
    • H. Wang and M. Thoss, Chem. Phys. 304, 121 (2004). 10.1016/j.chemphys. 2004.06.007
    • (2004) Chem. Phys. , vol.304 , pp. 121
    • Wang, H.1    Thoss, M.2
  • 14
    • 0009268852 scopus 로고
    • 10.1063/1.468364
    • G. Ilk and N. Makri, J. Chem. Phys. 101, 6708 (1994). 10.1063/1.468364
    • (1994) J. Chem. Phys. , vol.101 , pp. 6708
    • Ilk, G.1    Makri, N.2
  • 15
    • 35948988165 scopus 로고    scopus 로고
    • Quantum dynamical simulation of electron-transfer reactions in an anharmonic environment
    • DOI 10.1021/jp072367x
    • H. Wang and M. Thoss, J. Phys. Chem. A 111, 10369 (2007). 10.1021/jp072367x (Pubitemid 350068940)
    • (2007) Journal of Physical Chemistry A , vol.111 , Issue.41 , pp. 10369-10375
    • Haobin, W.1    Thoss, M.2
  • 16
    • 2942666211 scopus 로고    scopus 로고
    • 10.1063/1.1738109
    • Q. Shi and E. Geva, J. Chem. Phys. 120, 10647 (2004). 10.1063/1.1738109
    • (2004) J. Chem. Phys. , vol.120 , pp. 10647
    • Shi, Q.1    Geva, E.2
  • 22
    • 79952508502 scopus 로고    scopus 로고
    • See for more information about MCTDH
    • See http://www.pci.uni-heidelberg.de/tc/usr/mctdh for more information about MCTDH.
  • 23
    • 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
  • 26
    • 0006198684 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.60.972
    • K. M. Forsythe and N. Makri, Phys. Rev. B 60, 972 (1999). 10.1103/PhysRevB.60.972
    • (1999) Phys. Rev. B , vol.60 , pp. 972
    • Forsythe, K.M.1    Makri, N.2
  • 28
    • 22944470075 scopus 로고    scopus 로고
    • Electron tunneling dynamics in anharmonic bath
    • DOI 10.1063/1.1836734, 044501
    • Y. Dahnovsky, J. Chem. Phys. 122, 044501 (2005). 10.1063/1.1836734 (Pubitemid 41047605)
    • (2005) Journal of Chemical Physics , vol.122 , Issue.4 , pp. 1-5
    • Dahnovsky, Y.1
  • 30
    • 31344473531 scopus 로고    scopus 로고
    • Theoretical study of vibration-phonon coupling of H adsorbed on a Si(100) surface
    • DOI 10.1063/1.2161191, 034710
    • I. Andrianov and P. Saalfrank, J. Chem. Phys. 124, 034710 (2006). 10.1063/1.2161191 (Pubitemid 43136751)
    • (2006) Journal of Chemical Physics , vol.124 , Issue.3 , pp. 1-10
    • Andrianov, I.1    Saalfrank, P.2
  • 32
    • 34948902361 scopus 로고    scopus 로고
    • Quantum dynamical treatment of inelastic scattering of atoms at a surface at finite temperature: The random phase thermal wave function approach
    • DOI 10.1063/1.2786088
    • M. Nest and R. Kosloff, J. Chem. Phys. 127, 134711 (2007). 10.1063/1.2786088 (Pubitemid 47531637)
    • (2007) Journal of Chemical Physics , vol.127 , Issue.13 , pp. 134711
    • Nest, M.1    Kosloff, R.2
  • 33
    • 0000260868 scopus 로고    scopus 로고
    • Partition functions for reaction rate calculations: Statistical sampling and MCTDH propagation
    • DOI 10.1016/S0009-2614(01)01207-6, PII S0009261401012076
    • U. Manthe and F. Huarte-Larraaga, Chem. Phys. Lett. 349, 321 (2001). 10.1016/S0009-2614(01)01207-6 (Pubitemid 33630897)
    • (2001) Chemical Physics Letters , vol.349 , Issue.3-4 , pp. 321-328
    • Manthe, U.1    Huarte-Larranaga, F.2
  • 34
    • 0242270644 scopus 로고    scopus 로고
    • 10.1016/j.cplett.2003.09.119
    • D. Gelman and R. Kosloff, Chem. Phys. Lett. 381, 129 (2003). 10.1016/j.cplett.2003.09.119
    • (2003) Chem. Phys. Lett. , vol.381 , pp. 129
    • Gelman, D.1    Kosloff, R.2
  • 35
    • 0038730019 scopus 로고    scopus 로고
    • 10.1063/1.481438
    • G. A. Worth, J. Chem. Phys. 112, 8322 (2000). 10.1063/1.481438
    • (2000) J. Chem. Phys. , vol.112 , pp. 8322
    • Worth, G.A.1
  • 36
    • 0034321427 scopus 로고    scopus 로고
    • Open-system quantum dynamics for gas-surface scattering: Nonlinear dissipation and mapped Fourier grid methods
    • DOI 10.1063/1.1318902
    • M. Nest and P. Saalfrank, J. Chem. Phys. 113, 8753 (2000). 10.1063/1.1318902 (Pubitemid 32024810)
    • (2000) Journal of Chemical Physics , vol.113 , Issue.19 , pp. 8753-8761
    • Nest, M.1    Saalfrank, P.2
  • 37
    • 0037156157 scopus 로고    scopus 로고
    • Open-system density matrix description of femtosecond laser desorption of electronically and vibrationally relaxing adsorbates: Single- and two-pulse scenarios
    • DOI 10.1063/1.1462608
    • M. Nest and P. Saalfrank, J. Chem. Phys. 116, 7189 (2002). 10.1063/1.1462608 (Pubitemid 34537098)
    • (2002) Journal of Chemical Physics , vol.116 , Issue.16 , pp. 7189-7199
    • Nest, M.1    Saalfrank, P.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.