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triples.h File Reference
#include <occ/qm/cc/integrals.h>
#include <unsupported/Eigen/CXX11/Tensor>
Include dependency graph for triples.h:

Namespaces

namespace  occ
 
namespace  occ::qm
 quantum mechanics/quantum chemistry functionality including Hartree-Fock and more
 
namespace  occ::qm::cc
 

Functions

double occ::qm::cc::ccsd_t (const Eigen::Tensor< double, 2 > &t1, const Eigen::Tensor< double, 4 > &t2, const CCIntegrals &eris)
 Restricted closed-shell perturbative triples (T) correction.