The formulation of quantum statistical mechanics based on the Feynman path centroid density. V. Quantum instantaneous normal mode theory of liquids

The Journal of Chemical Physics ◽

10.1063/1.468400 ◽

1994 ◽

Vol 101 (7) ◽

pp. 6184-6192 ◽

Author(s):

Jianshu Cao ◽

Gregory A. Voth

Keyword(s):

Statistical Mechanics ◽

Normal Mode ◽

Quantum Statistical Mechanics ◽

Feynman Path ◽

Mode Theory ◽

Instantaneous Normal Mode ◽

Theory Of Liquids ◽

Normal Mode Theory ◽

Quantum Statistical

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Instantaneous normal mode theory of diffusion and the potential energy landscape: Application to supercooled liquid CS2

The Journal of Chemical Physics ◽

10.1063/1.479810 ◽

1999 ◽

Vol 111 (12) ◽

pp. 5503-5513 ◽

Author(s):

Wu-Xiong Li ◽

T. Keyes

Keyword(s):

Potential Energy ◽

Normal Mode ◽

Energy Landscape ◽

Supercooled Liquid ◽

Mode Theory ◽

Potential Energy Landscape ◽

Instantaneous Normal Mode ◽

Normal Mode Theory

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The formulation of quantum statistical mechanics based on the Feynman path centroid density. II. Dynamical properties

The Journal of Chemical Physics ◽

10.1063/1.467176 ◽

1994 ◽

Vol 100 (7) ◽

pp. 5106-5117 ◽

Author(s):

Jianshu Cao ◽

Gregory A. Voth

Keyword(s):

Statistical Mechanics ◽

Quantum Statistical Mechanics ◽

Feynman Path ◽

Dynamical Properties ◽

Quantum Statistical

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An instantaneous normal mode theory of condensed phase absorption: The collision-induced absorption spectra of liquid CO2

The Journal of Chemical Physics ◽

10.1063/1.474325 ◽

1997 ◽

Vol 107 (15) ◽

pp. 5635-5644 ◽

Author(s):

Preston Moore ◽

Brian Space

Keyword(s):

Absorption Spectra ◽

Normal Mode ◽

Condensed Phase ◽

Induced Absorption ◽

Mode Theory ◽

Instantaneous Normal Mode ◽

Normal Mode Theory

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An instantaneous normal mode theory of condensed phase absorption: the vibrational spectrum of condensed CS2 from boiling to freezing

Chemical Physics Letters ◽

10.1016/s0009-2614(98)01049-5 ◽

1998 ◽

Vol 296 (3-4) ◽

pp. 259-265 ◽

Author(s):

Preston B. Moore ◽

Xingdong Ji ◽

Heather Ahlborn ◽

Brian Space

Keyword(s):

Vibrational Spectrum ◽

Normal Mode ◽

Condensed Phase ◽

Mode Theory ◽

Instantaneous Normal Mode ◽

Normal Mode Theory

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On the Feynman path centroid density as a phase space distribution in quantum statistical mechanics

The Journal of Chemical Physics ◽

10.1063/1.470588 ◽

1995 ◽

Vol 103 (12) ◽

pp. 5018-5026 ◽

Author(s):

Rigoberto Hernandez ◽

Jianshu Cao ◽

Gregory A. Voth

Keyword(s):

Phase Space ◽

Statistical Mechanics ◽

Quantum Statistical Mechanics ◽

Space Distribution ◽

Feynman Path ◽

Phase Space Distribution ◽

Quantum Statistical

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The short‐time intramolecular dynamics of solutes in liquids. I. An instantaneous‐normal‐mode theory for friction

The Journal of Chemical Physics ◽

10.1063/1.472835 ◽

1996 ◽

Vol 105 (22) ◽

pp. 10050-10071 ◽

Author(s):

Grant Goodyear ◽

Richard M. Stratt

Keyword(s):

Normal Mode ◽

Intramolecular Dynamics ◽

Mode Theory ◽

Instantaneous Normal Mode ◽

Normal Mode Theory ◽

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The formulation of quantum statistical mechanics based on the Feynman path centroid density. IV. Algorithms for centroid molecular dynamics

The Journal of Chemical Physics ◽

10.1063/1.468399 ◽

1994 ◽

Vol 101 (7) ◽

pp. 6168-6183 ◽

Author(s):

Jianshu Cao ◽

Gregory A. Voth

Keyword(s):

Molecular Dynamics ◽

Statistical Mechanics ◽

Quantum Statistical Mechanics ◽

Feynman Path ◽

Quantum Statistical

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Instantaneous normal mode theory of quantum time correlation functions: Raman spectrum of liquid CS2

The Journal of Chemical Physics ◽

10.1063/1.473190 ◽

1997 ◽

Vol 106 (1) ◽

pp. 46-50 ◽

Author(s):

T. Keyes

Keyword(s):

Raman Spectrum ◽

Normal Mode ◽

Correlation Functions ◽

Time Correlation ◽

Time Correlation Functions ◽

Mode Theory ◽

Quantum Time ◽

Instantaneous Normal Mode ◽

Normal Mode Theory

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The molecular origins of the two-dimensional Raman spectrum of an atomic liquid. II. Instantaneous-normal-mode theory

The Journal of Chemical Physics ◽

10.1063/1.1453402 ◽

2002 ◽

Vol 116 (12) ◽

pp. 4972 ◽

Author(s):

Ao Ma ◽

Richard M. Stratt

Keyword(s):

Raman Spectrum ◽

Normal Mode ◽

Two Dimensional ◽

Mode Theory ◽

Instantaneous Normal Mode ◽

Normal Mode Theory

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Far-infrared absorption spectra of water, ammonia, and chloroform calculated from instantaneous normal mode theory

The Journal of Chemical Physics ◽

10.1063/1.473486 ◽

1997 ◽

Vol 106 (11) ◽

pp. 4389-4400 ◽

Author(s):

J. T. Kindt ◽

C. A. Schmuttenmaer

Keyword(s):

Absorption Spectra ◽

Normal Mode ◽

Infrared Absorption ◽

Far Infrared ◽

Mode Theory ◽

Instantaneous Normal Mode ◽

Normal Mode Theory ◽

Infrared Absorption Spectra

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