Do use MP2 natural orbital approximations for the block of two-electron integrals in the evaluation of second-order T2 amplitudes? This approximation is promising for accuracy and computational savings, but it has not been rigorously tested. Type: boolean Default: false
Do use MP2 natural orbital approximations for the block of two-electron integrals in the evaluation of second-order T2 amplitudes? This approximation is promising for accuracy and computational savings, but it has not been rigorously tested.
NAT_ORBS
NO_RESPONSE
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block of two-electron integrals in the evaluation of second-order T2 amplitudes? This approximation is promising for accuracy and computational savings, but it has not been rigorously tested.