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Search results for computational chemistry quantum mechanics
computational-chemistry
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quantum-mechanics
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8 search results found
Electronvisualized
⭐
53
Public Archive: Beautiful and Elegant Quantum Mechanics Visualization.
Hartreefock
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41
A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals
Pythoncompphys
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31
Some python workbooks with various topics from Computational Physics
Quack
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20
QuAcK: a software for emerging quantum electronic structure methods
Qmcchem2
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19
QMC=Chem version 2
Ase Espresso
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17
ase interface for Quantum Espresso
Hartree Fock
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7
Solution of Hartree-Fock equations within Pople's STO-3G basis set
Phd3
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6
QM/DMD engine. Protein Hybrid Discrete Dynamics/DFT
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1-8 of 8 search results
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