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12
votes
Molecular orbitals used with CCSD(T) geometries
quantum-chemistry
computational-chemistry
software
asked Mar 11, 2019 at 16:25
chemistry.stackexchange.com
11
votes
Understanding two-electron integrals in Gaussian 09
quantum-chemistry
computational-chemistry
software
asked Aug 7, 2018 at 19:00
chemistry.stackexchange.com
7
votes
Two-stage unbinding & binding energies with DFT
density-functional-theory
computational-chemistry
quantum-chemistry
gaussian
implicit-solvent
asked Feb 18, 2021 at 13:11
mattermodeling.stackexchange.com
6
votes
Symmetry-preserving low-level structural relaxation
software-recommendations
geometry-optimization
forcefields
molecular-mechanics
semi-empirical-method
asked Mar 2, 2021 at 17:09
mattermodeling.stackexchange.com
6
votes
few fermions in a harmonic trap — position density matrix from diagrammatics
quantum-mechanics
homework
statistical-mechanics
asked Dec 12, 2012 at 23:46
physics.stackexchange.com
5
votes
Quote about judging "a man by his post" from the City of God, according to Alain de Botton
books
augustine
asked Jan 17, 2013 at 6:56
christianity.stackexchange.com
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