qsimulate-open/zquatev
Diagonalization of quaternionic matrices to yield symmetry-adapted eigenvectors.
Stone-age program for arbitrary-order CC and CC-F12 (2007-2009)
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Diagonalization of quaternionic matrices to yield symmetry-adapted eigenvectors.
Brilliantly Advanced General Electronic-structure Library
Provides roots and weights for Rys-like quadrature in Slater/Yukawa integral evaluation
SMITH3 generates efficient code for CASPT2 nuclear gradient (and beyond)