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Projects in Awesome Lists tagged with mp2
A curated list of projects in awesome lists tagged with mp2 .
https://github.com/alejandrogallo/sisi4s
Massively parallel electronic structure code for experimentation
ccsd ccsdt coupled-cluster ctf einstein-notation eomcc hartree-fock libint mp2 nwchem quantum-chemistry rpa tensor-algebra turbomole vasp
Last synced: 26 Nov 2024
https://github.com/lukaswittmann/hartree-fock
The Hartree-Fock algorithm, a method for approximating the wave function and energy of a quantum many-body system by assuming that the exact N-body wave function of the system can be adequately described by a single Slater determinant. The goal of this project is to implement the HF algorithm for the H2 molecule.
hartree-fock mp2 quantum-chemistry rhf scf uhf
Last synced: 06 Nov 2024
https://github.com/chouhy/ntu-systemprogramming2017fall
mp1 mp2 mp3 mp4 mp5 ntu system-programming
Last synced: 29 Nov 2024