Time-dependent self-consistent harmonic approximation: Anharmonic nuclear quantum dynamics and time correlation functions

Lorenzo Monacelli; Francesco Mauri

doi:10.1103/physrevb.103.104305

Time-dependent self-consistent harmonic approximation: Anharmonic nuclear quantum dynamics and time correlation functions

Physical Review B ◽

10.1103/physrevb.103.104305 ◽

2021 ◽

Vol 103 (10) ◽

Author(s):

Lorenzo Monacelli ◽

Francesco Mauri

Keyword(s):

Correlation Functions ◽

Quantum Dynamics ◽

Harmonic Approximation ◽

Time Correlation ◽

Time Dependent ◽

Time Correlation Functions ◽

Self Consistent

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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 ◽

Cited By ~ 21

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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Vibrational Raman Spectra from the Self-Consistent Charge Density Functional Tight Binding Method via Classical Time-Correlation Functions

Journal of Chemical Theory and Computation ◽

10.1021/ct900660x ◽

2010 ◽

Vol 6 (4) ◽

pp. 1240-1255 ◽

Cited By ~ 15

Author(s):

Steve Kaminski ◽

Michael Gaus ◽

Prasad Phatak ◽

David von Stetten ◽

Marcus Elstner ◽

...

Keyword(s):

Charge Density ◽

Raman Spectra ◽

Correlation Functions ◽

Density Functional ◽

Tight Binding ◽

Time Correlation ◽

The Self ◽

Time Correlation Functions ◽

Self Consistent ◽

Tight Binding Method

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Quantum dynamics: Path integral approach to time correlation functions in finite temperature

The Journal of Chemical Physics ◽

10.1063/1.1350444 ◽

2001 ◽

Vol 114 (11) ◽

pp. 5097-5098 ◽

Cited By ~ 4

Author(s):

Ashok Sethia ◽

Sudip Sanyal ◽

Fumio Hirata

Keyword(s):

Path Integral ◽

Correlation Functions ◽

Finite Temperature ◽

Quantum Dynamics ◽

Time Correlation ◽

Integral Approach ◽

Time Correlation Functions ◽

Path Integral Approach

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Forward−Backward Quantum Dynamics for Time Correlation Functions

The Journal of Physical Chemistry A ◽

10.1021/jp0308615 ◽

2004 ◽

Vol 108 (5) ◽

pp. 806-812 ◽

Cited By ~ 30

Author(s):

Nancy Makri

Keyword(s):

Correlation Functions ◽

Quantum Dynamics ◽

Time Correlation ◽

Time Correlation Functions

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Time-dependent orientation distribution function calculated from time-correlation functions by use of information theory

Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics ◽

10.1039/f29747001705 ◽

1974 ◽

Vol 70 ◽

pp. 1705 ◽

Cited By ~ 6

Author(s):

Thomas S. Clarkson ◽

Graham Williams

Keyword(s):

Information Theory ◽

Distribution Function ◽

Orientation Distribution Function ◽

Correlation Functions ◽

Orientation Distribution ◽

Time Correlation ◽

Time Dependent ◽

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 ◽

Cited By ~ 7

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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Approximate but accurate quantum dynamics from the Mori formalism. II. Equilibrium time correlation functions

The Journal of Chemical Physics ◽

10.1063/1.4975388 ◽

2017 ◽

Vol 146 (8) ◽

pp. 084110 ◽

Cited By ~ 14

Author(s):

Andrés Montoya-Castillo ◽

David R. Reichman

Keyword(s):

Correlation Functions ◽

Quantum Dynamics ◽

Time Correlation ◽

Time Correlation Functions ◽

Equilibrium Time

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Time-dependent importance sampling in semi-classical initial value representation calculations for time correlation functions. III. A state-resolved implementation to electronically non-adiabatic dynamics

Molecular Physics ◽

10.1080/00268976.2013.776712 ◽

2013 ◽

Vol 111 (14-15) ◽

pp. 1987-1993 ◽

Cited By ~ 6

Author(s):

Guohua Tao ◽

William H. Miller

Keyword(s):

Importance Sampling ◽

Correlation Functions ◽

Time Correlation ◽

Time Dependent ◽

Time Correlation Functions ◽

Initial Value ◽

Adiabatic Dynamics ◽

Initial Value Representation ◽

Value Representation

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Time correlation functions via forward-backward quantum dynamics using Hamilton’s law of varying action

The Journal of Chemical Physics ◽

10.1063/1.3224494 ◽

2009 ◽

Vol 131 (12) ◽

pp. 124107 ◽

Cited By ~ 2

Author(s):

Jonathan Chen ◽

Nancy Makri

Keyword(s):

Correlation Functions ◽

Quantum Dynamics ◽

Time Correlation ◽

Time Correlation Functions

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Time correlation functions of classical fluids: A self-consistent approach

Physical Review E ◽

10.1103/physreve.54.3652 ◽

1996 ◽

Vol 54 (4) ◽

pp. 3652-3656 ◽

Cited By ~ 3

Author(s):

Rajneesh K. Sharma ◽

R. K. Moudgil ◽

K. Tankeshwar

Keyword(s):

Correlation Functions ◽

Time Correlation ◽

Time Correlation Functions ◽

Classical Fluids ◽

Self Consistent ◽

Consistent Approach

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