Simulation of Electronic and Geometric Degrees of Freedom Using a kink-Based Path Integral Formulation: Application to Molecular Systems

Randall W. Hall

doi:10.1063/1.1884945

Simulation of Electronic and Geometric Degrees of Freedom Using a kink-Based Path Integral Formulation: Application to Molecular Systems

Department of Chemistry, Louisiana State University, Baton Rouge

Research output: Contribution to journal › Article › peer-review

Original language	American English
Journal	The Journal of Chemical Physics
Volume	122
DOIs	https://doi.org/10.1063/1.1884945
State	Published - Jan 1 2005
Externally published	Yes

Keywords

Excited States
Light Emitting Diodes
Ab Initio Calculations
Ground States
Monte Carlo Methods

Disciplines

Chemistry

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10.1063/1.1884945License: Unspecified

Simulation of Electronic and Geometric Degrees of Freedom Using aFinal published version, 345 KBLicense: Unspecified

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title = "Simulation of Electronic and Geometric Degrees of Freedom Using a kink-Based Path Integral Formulation: Application to Molecular Systems",

keywords = "Excited States, Light Emitting Diodes, Ab Initio Calculations, Ground States, Monte Carlo Methods",

author = "Hall, \{Randall W.\}",

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doi = "10.1063/1.1884945",

language = "American English",

volume = "122",

journal = "The Journal of Chemical Physics",

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AU - Hall, Randall W.

PY - 2005/1/1

Y1 - 2005/1/1

KW - Excited States

KW - Light Emitting Diodes

KW - Ab Initio Calculations

KW - Ground States

KW - Monte Carlo Methods

UR - https://scholar.dominican.edu/all-faculty/21

U2 - 10.1063/1.1884945

DO - 10.1063/1.1884945

M3 - Article

VL - 122

JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

ER -

Simulation of Electronic and Geometric Degrees of Freedom Using a kink-Based Path Integral Formulation: Application to Molecular Systems

Keywords

Disciplines

Access to Document

OpenUrl availability

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