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8
votes
Practical use of the partition function in molecular simulations
thermodynamics
computational-chemistry
theoretical-chemistry
molecular-dynamics
statistical-mechanics
asked Sep 17, 2021 at 23:55
chemistry.stackexchange.com
5
votes
Why SCF procedure in Hartree-Fock doesn't keep returning the same coefficients?
computational-chemistry
molecular-orbital-theory
electronic-configuration
asked Nov 17, 2021 at 8:33
chemistry.stackexchange.com
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