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Volumn 117, Issue 32, 2013, Pages 7190-7194

Symmetrical windowing for quantum states in quasi-classical trajectory simulations

Author keywords

[No Author keywords available]

Indexed keywords

POTENTIAL ENERGY; QUANTUM CHEMISTRY; QUANTUM OPTICS; SURFACE REACTIONS; TRAJECTORIES; VIBRATIONS (MECHANICAL);

EID: 84882428005     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp401078u     Document Type: Article
Times cited : (172)

References (11)
  • 3
    • 36849114078 scopus 로고
    • Classical S Matrix: Numerical Application to Inelastic Collisions
    • Miller, W. H. Classical S Matrix: Numerical Application to Inelastic Collisions J. Chem. Phys. 1970, 53, 3578-3587
    • (1970) J. Chem. Phys. , vol.53 , pp. 3578-3587
    • Miller, W.H.1
  • 4
    • 0035810449 scopus 로고    scopus 로고
    • The Semiclassical Initial Value Representation: A Potentially Practical Way for Adding Quantum Effects to Classical Molecular Dynamics Simulations
    • Miller, W. H. The Semiclassical Initial Value Representation: A Potentially Practical Way for Adding Quantum Effects to Classical Molecular Dynamics Simulations J. Phys. Chem. A 2001, 105, 2942-2955
    • (2001) J. Phys. Chem. A , vol.105 , pp. 2942-2955
    • Miller, W.H.1
  • 7
    • 36449009593 scopus 로고
    • Quantum Mechanical Reaction Probabilities Via a Discrete Variable Representation-Absorbing Boundary Condition Green's Function
    • Seideman, T.; Miller, W. H. Quantum Mechanical Reaction Probabilities Via a Discrete Variable Representation-Absorbing Boundary Condition Green's Function J. Chem. Phys. 1992, 97, 2499-2514
    • (1992) J. Chem. Phys. , vol.97 , pp. 2499-2514
    • Seideman, T.1    Miller, W.H.2
  • 8
    • 0040532910 scopus 로고
    • A Novel Discrete Variable Representation for Quantum Mechanical Reactive Scattering via the S-Matrix Kohn Method
    • Colbert, D. T.; Miller, W. H. A Novel Discrete Variable Representation for Quantum Mechanical Reactive Scattering via the S-Matrix Kohn Method J. Chem. Phys. 1992, 96, 1982-1991
    • (1992) J. Chem. Phys. , vol.96 , pp. 1982-1991
    • Colbert, D.T.1    Miller, W.H.2
  • 9
    • 0000700156 scopus 로고
    • The Cumulative Reaction Probability as Eigenvalue Problem
    • Manthe, U.; Miller, W. H. The Cumulative Reaction Probability as Eigenvalue Problem J. Chem. Phys. 1993, 99, 3411-3419
    • (1993) J. Chem. Phys. , vol.99 , pp. 3411-3419
    • Manthe, U.1    Miller, W.H.2
  • 10
    • 0031551540 scopus 로고    scopus 로고
    • Quasiclassical Trajectory Method for Molecular Scattering Processes: Necessity of a Weighted Binning Approach
    • Bonnet, L.; Rayez, J. C. Quasiclassical Trajectory Method for Molecular Scattering Processes: Necessity of a Weighted Binning Approach Chem. Phys. Lett. 1997, 277, 183-190
    • (1997) Chem. Phys. Lett. , vol.277 , pp. 183-190
    • Bonnet, L.1    Rayez, J.C.2
  • 11
    • 73649141314 scopus 로고    scopus 로고
    • 1 = 0,1) Reactions Using an Ab Initio Potential Energy Surface
    • 1 = 0,1) Reactions Using an Ab Initio Potential Energy Surface J. Chem. Phys. 2009, 131, 244302.1-18
    • (2009) J. Chem. Phys. , vol.131 , pp. 2443021
    • Czako, G.1    Bowman, J.M.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.