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Ab initio molecular dynamics with correlated molecular wave functions: Generalized valence bond molecular dynamics and simulated annealing
Bernd Hartke,
Emily A. Carter
Research output
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Contribution to journal
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Article
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peer-review
109
Scopus citations
Overview
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Dive into the research topics of 'Ab initio molecular dynamics with correlated molecular wave functions: Generalized valence bond molecular dynamics and simulated annealing'. Together they form a unique fingerprint.
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Physics
Boundary Condition
33%
Chemical Bond
33%
Electron State
33%
First-Principles
33%
Metal Cluster
33%
Molecular Dynamics
100%
Potential Energy
33%
Simulated Annealing
100%
Wave Function
100%
Chemistry
Chemical Bond
33%
Electron Correlation
33%
First Principle
33%
Generalized Valence Bond Theory
100%
Molecular Dynamics
100%
Potential Energy Surface
33%
Wave Function
100%
Engineering
Bond Formation
50%
Bond Valence
100%
Boundary Condition
50%
Energy Surface
50%
Geometry Optimization
50%
Hamiltonian
50%
Potential Energy
50%
Material Science
Chemical Bonding
50%
Metal Cluster
50%
Simulated Annealing
100%
Surface Energy
50%
Keyphrases
Many-electron State
50%
Molecular Wave Function
100%
Static Electron Correlation
50%
Earth and Planetary Sciences
Metal Cluster
50%