File tree 14 files changed +14
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14 files changed +14
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- # test
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+ # Project # 1 : Molecular geometry/rotational constant analysis
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+ # Project #10 : DIIS extrapolation for solving the CC amplitude equations
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+ # Project #11 : An “out of core” SCF procedure
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+ # Project #12 : Excited Electronic States: CIS and TDHF/RPA
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+ # Project #13 : The Davidson-Liu Algorithm: CIS
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+ # Project #14 : Excited Electronic States: EOM-CCSD
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+ # Project #2 : Harmonic Vibrational Analysis
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+ # Project #3 : The Hartree-Fock self-consistent field (SCF) procedure
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+ # Project #4 : The second-order Moller-Plesset perturbation (MP2) energy
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+ # Project #5 : The coupled cluster singles and doubles (CCSD) energy
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+ # Project #6 : A perturbative triples correction to CCSD [ CCSD(T)]
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+ # Project #7 : Connecting your code to PSI
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+ # Project #8 : DIIS extrapolation for the SCF procedure
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+ # Project #9 : Using symmetry in the SCF procedure
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