sc::ManyBodyTensors Namespace Reference

Contains classes used to compute many-body tensors. More...

Classes
class	Apply_H0minusE0
	Applies (H0 - E0) More...
class	Apply_Identity
	Tensor elements are <pq||rs> More...
class	Apply_Inverse_H0minusE0
	Applies (H0 - E0)^{-1}, e.g. MP2 T2 tensor elements are <ij||ab> /(e_i + e_j - e_a - e_b) More...
class	Apply_Inverse_Sqrt_H0minusE0
	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...

Typedefs
typedef Apply_Identity< Plus >	I_to_T
typedef Apply_Identity< Minus >	I_to_mT
typedef Apply_Inverse_Sqrt_H0minusE0< Plus >	ERI_to_S2
typedef Apply_Inverse_H0minusE0< Minus >	ERI_to_T2

Enumerations
enum	Sign { Minus = -1, Plus = +1 }

Detailed Description

Contains classes used to compute many-body tensors.