hartree-fock topic

List hartree-fock repositories

molgw

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Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters

PythonCompphys

57
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11
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Some python workbooks with various topics from Computational Physics

Hartree-Fock

33
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16
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Solution of Hartree-Fock equations within Pople's STO-3G basis set

HartreeFockBogoliubov.jl

15
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3
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Hartree-Fock-Bogoliubov solver for a generic interacting fermion Hamiltonian

LearnHartreeFock.jl

20
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6
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Learning how to code a package for solving simple Hartree-Fock electronic structure calculations.

grasp

54
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25
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General Relativistic Atomic Structure Package

Haskell-abinitio

17
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2
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contains a package in Haskell to calculate the electronic structure properties of molecules using the Hartree-Fock method

QuAcK

23
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8
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QuAcK: a software for emerging quantum electronic structure methods

IntroQM

29
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4
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Introduction to Quantum Mechanics for Chemists