sc::ManyBodyTensors::Apply_Inverse_Sqrt_H0minusE0< sign > Class Template Reference

Applies 1.0/sqrt(H0-E0) MP2 pseudo-T2 (S2) tensor elements are <ij||ab> /sqrt(|e_i + e_j - e_a - e_b|) such that MP2 pair energies are the diagonal elements of S2 * S2.t(). More...

#include <chemistry/qc/mbptr12/compute_tbint_tensor.h>

List of all members.

Static Public Member Functions
static double	I2T (double I, int i1, int i3, int i2, int i4, const RefDiagSCMatrix &evals1, const RefDiagSCMatrix &evals2, const RefDiagSCMatrix &evals3, const RefDiagSCMatrix &evals4)

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Detailed Description

template<Sign sign = Plus>
class sc::ManyBodyTensors::Apply_Inverse_Sqrt_H0minusE0< sign >

Applies 1.0/sqrt(H0-E0) MP2 pseudo-T2 (S2) tensor elements are <ij||ab> /sqrt(|e_i + e_j - e_a - e_b|) such that MP2 pair energies are the diagonal elements of S2 * S2.t().

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The documentation for this class was generated from the following file:

• src/lib/chemistry/qc/mbptr12/compute_tbint_tensor.h