Linearized semiclassical initial value time correlation functions using the thermal Gaussian approximation: Applications to condensed phase systems

The Journal of Chemical Physics ◽

10.1063/1.2774990 ◽

2007 ◽

Vol 127 (11) ◽

pp. 114506 ◽

Author(s):

Jian Liu ◽

William H. Miller

Keyword(s):

Condensed Phase ◽

Correlation Functions ◽

Gaussian Approximation ◽

Time Correlation ◽

Time Correlation Functions ◽

Initial Value ◽

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Gaussian approximation for the structure function in semiclassical forward-backward initial value representations of time correlation functions

The Journal of Chemical Physics ◽

10.1063/1.3271241 ◽

2009 ◽

Vol 131 (22) ◽

pp. 224107 ◽

Author(s):

Guohua Tao ◽

William H. Miller

Keyword(s):

Structure Function ◽

Correlation Functions ◽

Gaussian Approximation ◽

Time Correlation ◽

Time Correlation Functions ◽

Initial Value ◽

Initial Value Representations

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Using the thermal Gaussian approximation for the Boltzmann operator in semiclassical initial value time correlation functions

The Journal of Chemical Physics ◽

10.1063/1.2395941 ◽

2006 ◽

Vol 125 (22) ◽

pp. 224104 ◽

Author(s):

Jian Liu ◽

William H. Miller

Keyword(s):

Correlation Functions ◽

Gaussian Approximation ◽

Time Correlation ◽

Time Correlation Functions ◽

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Forward–backward semiclassical dynamics for condensed phase time correlation functions

The Journal of Chemical Physics ◽

10.1063/1.1580472 ◽

2003 ◽

Vol 119 (3) ◽

pp. 1634-1642 ◽

Author(s):

Nicholas J. Wright ◽

Nancy Makri

Keyword(s):

Condensed Phase ◽

Correlation Functions ◽

Time Correlation ◽

Time Correlation Functions ◽

Semiclassical Dynamics

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Forward–backward initial value representation for semiclassical time correlation functions

The Journal of Chemical Physics ◽

10.1063/1.478571 ◽

1999 ◽

Vol 110 (14) ◽

pp. 6635-6644 ◽

Author(s):

Xiong Sun ◽

William H. Miller

Keyword(s):

Correlation Functions ◽

Time Correlation ◽

Time Correlation Functions ◽

Initial Value ◽

Initial Value Representation ◽

Value Representation

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Time-dependent importance sampling in semiclassical initial value representation calculations for time correlation functions

The Journal of Chemical Physics ◽

10.1063/1.3600656 ◽

2011 ◽

Vol 135 (2) ◽

pp. 024104 ◽

Author(s):

Guohua Tao ◽

William H. Miller

Keyword(s):

Importance Sampling ◽

Correlation Functions ◽

Time Correlation ◽

Time Dependent ◽

Time Correlation Functions ◽

Initial Value ◽

Initial Value Representation ◽

Value Representation

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Erratum: “Forward–backward initial value representation for semiclassical time correlation functions” [J. Chem. Phys. 110, 6635 (1999)]

The Journal of Chemical Physics ◽

10.1063/1.479444 ◽

1999 ◽

Vol 111 (4) ◽

pp. 1788-1788 ◽

Author(s):

Xiong Sun ◽

William H. Miller

Keyword(s):

Correlation Functions ◽

Time Correlation ◽

Chem Phys ◽

Time Correlation Functions ◽

Initial Value ◽

Initial Value Representation ◽

Value Representation

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Linearized semiclassical initial value time correlation functions with maximum entropy analytic continuation

The Journal of Chemical Physics ◽

10.1063/1.2981065 ◽

2008 ◽

Vol 129 (12) ◽

pp. 124111 ◽

Author(s):

Jian Liu ◽

William H. Miller

Keyword(s):

Analytic Continuation ◽

Maximum Entropy ◽

Correlation Functions ◽

Time Correlation ◽

Time Correlation Functions ◽

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Time-dependent importance sampling in semiclassical initial value representation calculations for time correlation functions. II. A simplified implementation

The Journal of Chemical Physics ◽

10.1063/1.4752206 ◽

2012 ◽

Vol 137 (12) ◽

pp. 124105 ◽

Author(s):

Guohua Tao ◽

William H. Miller

Keyword(s):

Importance Sampling ◽

Correlation Functions ◽

Time Correlation ◽

Time Dependent ◽

Time Correlation Functions ◽

Initial Value ◽

Initial Value Representation ◽

Value Representation

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Efficient importance sampling in semiclassical initial value representation calculations for time correlation functions

Theoretical Chemistry Accounts ◽

10.1007/s00214-014-1448-y ◽

2014 ◽

Vol 133 (3) ◽

Author(s):

Guohua Tao

Keyword(s):

Importance Sampling ◽

Correlation Functions ◽

Time Correlation ◽

Time Correlation Functions ◽

Initial Value ◽

Initial Value Representation ◽

Value Representation

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Test of the consistency of various linearized semiclassical initial value time correlation functions in application to inelastic neutron scattering from liquid para-hydrogen

The Journal of Chemical Physics ◽

10.1063/1.2889945 ◽

2008 ◽

Vol 128 (14) ◽

pp. 144511 ◽

Author(s):

Jian Liu ◽

William H. Miller

Keyword(s):

Neutron Scattering ◽

Correlation Functions ◽

Inelastic Neutron Scattering ◽

Time Correlation ◽

Inelastic Neutron ◽

Time Correlation Functions ◽

Para Hydrogen ◽

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