Matter Modeling
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lex2763
  • Member for 1 year, 11 months
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33
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6
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17
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17
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17
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All Questions Answers
Score Newest
question
7
How is the zero energy defined for molecular orbitals?
Nov 21, 2022
answer
6
Effect of System Configuration on MD simulation results
Dec 30, 2022
answer
5
How can I change the mass of an electron in the hamiltonian on a PySCF calculation?
Nov 10, 2022
answer
1
Why Kohn-Sham equations are regarded as single-particle equations?
Aug 18, 2022
answer
1
How can I get the projected density of states within the Green's function method?
Sep 23, 2022
answer
1
Can I freeze f functions from a TZ basis set during MP2 (but not during H-F) to speed up calculations?
Nov 6, 2022

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