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Computer Physics Communications
Volumn 169, Issue 1-3, 2005, Pages 400-403
Nonadiabatic chemical reactions
Author keywords

Nonadiabatic; Quantum classical; Rate constants
Indexed keywords

ALGORITHMIC LANGUAGES; CHARGE TRANSFER; COMPUTER SIMULATION; CONDENSATION; DEGREES OF FREEDOM (MECHANICS); ELECTRONS; PROTONS; QUANTUM THEORY; RATE CONSTANTS;
EID: 21244444600     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2005.03.088     Document Type: Conference Paper
Times cited : (5)
References (8)
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  • 2
    • 0001385642 scopus 로고    scopus 로고
    • Mixed quantum-classical dynamics
    • R. Kapral, and G. Ciccotti Mixed quantum-classical dynamics J. Chem. Phys. 110 18 1999 8919 8929
    • (1999) J. Chem. Phys. , vol.110 , Issue.18 , pp. 8919-8929
    • Kapral, R.1    Ciccotti, G.2
  • 3
    • 0038540166 scopus 로고    scopus 로고
    • Quantum-classical dynamics of nonadiabatic chemical reactions
    • A. Sergi, and R. Kapral Quantum-classical dynamics of nonadiabatic chemical reactions J. Chem. Phys. 118 19 2003 8566 8575
    • (2003) J. Chem. Phys. , vol.118 , Issue.19 , pp. 8566-8575
    • Sergi, A.1    Kapral, R.2
  • 4
    • 0037078457 scopus 로고    scopus 로고
    • Sequential short-time propagation of quantum-classical dynamics
    • D. MacKernan, R. Kapral, and G. Ciccotti Sequential short-time propagation of quantum-classical dynamics J. Phys. Condens. Matter 14 40 2002 9069 9076
    • (2002) J. Phys. Condens. Matter , vol.14 , Issue.40 , pp. 9069-9076
    • MacKernan, D.1    Kapral, R.2    Ciccotti, G.3
  • 5
    • 0035473741 scopus 로고    scopus 로고
    • Statistical mechanics of quantum-classical systems
    • S. Nielsen, R. Kapral, and G. Ciccotti Statistical mechanics of quantum-classical systems J. Chem. Phys. 115 13 2001 5805 5815
    • (2001) J. Chem. Phys. , vol.115 , Issue.13 , pp. 5805-5815
    • Nielsen, S.1    Kapral, R.2    Ciccotti, G.3
  • 6
    • 0032503752 scopus 로고    scopus 로고
    • Semiclassical influence functionals for quantum systems in anharmonic environments
    • N. Makri, and K. Thompson Semiclassical influence functionals for quantum systems in anharmonic environments Chem. Phys. Lett. 291 1-2 1998 101 109
    • (1998) Chem. Phys. Lett. , vol.291 , Issue.1-2 , pp. 101-109
    • Makri, N.1    Thompson, K.2
  • 7
    • 0037040034 scopus 로고    scopus 로고
    • Surface-hopping dynamics of a spin-boson system
    • D. MacKernan, G. Ciccotti, and R. Kapral Surface-hopping dynamics of a spin-boson system J. Chem. Phys. 116 6 2002 2346 2353
    • (2002) J. Chem. Phys. , vol.116 , Issue.6 , pp. 2346-2353
    • MacKernan, D.1    Ciccotti, G.2    Kapral, R.3
  • 8
    • 33646196329 scopus 로고    scopus 로고
    • A statistical mechanical theory of quantum dynamics in classical environments
    • R. Kapral, and G. Ciccotti A statistical mechanical theory of quantum dynamics in classical environments Lecture Notes Phys. 605 2002 445 472
    • (2002) Lecture Notes Phys. , vol.605 , pp. 445-472
    • Kapral, R.1    Ciccotti, G.2

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.