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Grid-based numerical Hartree-Fock solutions of polyatomic molecules
Toru Shiozaki, So Hirata
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Chemistry
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peer-review
35
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Keyphrases
Hartree-Fock
100%
Polyatomic Molecules
100%
Grid-based
100%
Orbital Energy
50%
Finite Difference Method
50%
Total Energy
50%
Coulomb Potential
50%
Density Functional Method
50%
Numerical Solution
50%
Basis Set Limit
50%
Numerical Density
50%
Exchange Potential
50%
Triatomic Molecule
50%
Quadrature Grid
50%
Hartree Equation
50%
Poisson Equation
50%
Hartree
50%
Laplace Operator
50%
Diatomic Molecules
50%
Mathematics
Polyatomic Molecule
100%
Density Functional
50%
Finite Difference Methods
50%
Limit Set
50%
Poisson Equation
50%
Orbital Energy
50%
Numerical Solution
50%
Laplace Operator
50%
Engineering
Laplace Operator
100%
Numerical Solution
100%
Limit Set
100%
Finite Difference Method
100%
Physics
Polyatomic Molecule
100%
Numerical Solution
50%
Finite Difference Methods
50%
Poisson Equation
50%
Density Functional Theory
50%
Material Science
Density
100%
Finite Difference Method
100%
Medicine and Dentistry
Density Functional Theory
100%