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

Download Full-text

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

Download Full-text

Instantaneous normal mode theory of more complicated correlation functions: Third- and fifth-order optical response

The Journal of Chemical Physics ◽

10.1063/1.480634 ◽

2000 ◽

Vol 112 (1) ◽

pp. 287-293 ◽

Author(s):

T. Keyes ◽

John T. Fourkas

Keyword(s):

Normal Mode ◽

Correlation Functions ◽

Optical Response ◽

Mode Theory ◽

Instantaneous Normal Mode ◽

Normal Mode Theory ◽

Download Full-text

Semiclassical approximations to quantum time correlation functions

Chemical Physics Letters ◽

10.1016/s0009-2614(98)00807-0 ◽

1998 ◽

Vol 293 (5-6) ◽

pp. 469-476 ◽

Author(s):

S.A. Egorov ◽

J.L. Skinner

Keyword(s):

Correlation Functions ◽

Time Correlation ◽

Time Correlation Functions ◽

Quantum Time ◽

Semiclassical Approximations

Download Full-text

An Adiabatic Linearized Path Integral Approach for Quantum Time-Correlation Functions II: A Cumulant Expansion Method for Improving Convergence

The Journal of Physical Chemistry B ◽

10.1021/jp061725d ◽

2006 ◽

Vol 110 (32) ◽

pp. 16026-16034 ◽

Author(s):

Maria Serena Causo ◽

Giovanni Ciccotti ◽

Sara Bonella ◽

Rodolphe Vuilleumier

Keyword(s):

Path Integral ◽

Correlation Functions ◽

Expansion Method ◽

Time Correlation ◽

Integral Approach ◽

Time Correlation Functions ◽

Cumulant Expansion ◽

Path Integral Approach ◽

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

Linearized Path Integral Methods for Quantum Time Correlation Functions

Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 1 - Lecture Notes in Physics ◽

10.1007/3-540-35273-2_16 ◽

2007 ◽

pp. 553-590 ◽

Author(s):

D.F. Coker ◽

S. Bonella

Keyword(s):

Path Integral ◽

Correlation Functions ◽

Time Correlation ◽

Time Correlation Functions ◽

Integral Methods ◽

Download Full-text

Quantum time correlation functions from complex time Monte Carlo simulations: A maximum entropy approach

The Journal of Chemical Physics ◽

10.1063/1.1331613 ◽

2001 ◽

Vol 114 (3) ◽

pp. 1075-1088 ◽

Author(s):

Goran Krilov ◽

Eunji Sim ◽

B. J. Berne

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Maximum Entropy ◽

Correlation Functions ◽

Time Correlation ◽

Time Correlation Functions ◽

Complex Time ◽

Download Full-text

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 ◽

Download Full-text