Implementation of state interaction spin-orbit (SISO) coupling method using configuration interaction (CI) vectors from complete active space self-consistent field (CASSCF) or full CI (FCI) calculations.
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State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI
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hczhai/fci-siso
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State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI
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