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Variational grand-canonical electronic structure method for open systems
Shlomit Jacobi,
Roi Baer
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Corresponding author for this work
Institute of Chemistry
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peer-review
13
Scopus citations
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Keyphrases
Variational
100%
Open Systems
100%
Electronic Structure Methods
100%
Hartree-Fock Method
100%
Grand Canonical
100%
Systems-based
50%
Temperature Effect
50%
Gaussian Basis Sets
50%
Zero Temperature
50%
Hydrogen Molecule
50%
Quantum Chemistry
50%
Full Configuration Interaction
50%
Computational Effort
50%
Ab Initio Methods
50%
Configuration Interaction Calculations
50%
Potential Curves
50%
Peierls
50%
Gibbs Free Energy
50%
Molecular Electronic Structure
50%
Temperature Calculation
50%
Chemistry
Electronic State
100%
Ground State
100%
Gibbs Free Energy
100%
Hartree-Fock Method
100%
Gaussian Distribution
50%
Hydrogen
50%
Molecular Electronics
50%
Quantum Chemistry
50%
Configuration Interaction
50%
Zero-Temperature
50%
Calculation Method
50%
Bending Potential
50%
Anisotropy
50%
Physics
Energy Levels
100%
Ground State
100%
Gibbs Free Energy
100%
Gaussian Distribution
50%
Zero-Temperature
50%
Anisotropy
50%
Method Ab Initio
50%
Configuration Interaction
50%
Quantum Chemistry
50%
Molecular Electronic Structure
50%
Material Science
Energy Levels
100%
Ab Initio Method
50%