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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
33
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INIS
hartree-fock method
100%
energy
66%
grids
66%
polyatomic molecules
66%
molecules
33%
atoms
33%
solutions
33%
equations
33%
potentials
33%
density functional method
33%
numerical solution
33%
quadratures
33%
extrapolation
33%
finite difference method
33%
poisson equation
33%
laplace operator
33%
Physics
Orbitals
33%
Numerical Solution
33%
Quadrature
33%
Poisson Equation
33%
Atoms
33%
Molecules
33%
Extrapolation
33%
Density Functional Theory
33%
Chemistry
Aqueous Solution
33%
Atom
33%
Molecule
33%
Potential
33%
Orbital
33%
Total Energy
33%
Diatomics
33%
Basis Set
33%
Mathematics
Finite Difference Methods
66%
Numerical Solution
33%
Total Energy
33%
Quadrature
33%
Basis Set
33%
Operators
33%