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A new approach to construct the three-body correlation matrices for correlated excited states
(Elsevier Science, 2013-01)
The calculations carried out with the G-particle-hole hypervirial equation (GHV) method for a set of ground-states dominated by a single determinant of electronic systems have yielded highly-accurate results when compared ...
Theoretical and applicative properties of the correlation and G-particle-hole matrices
(John Wiley & Sons Inc, 2009-04)
We have recently (Valdemoro et al., Sixth International Congress of the International Society for Theoretical Chemical Physics, 2008; Alcoba et al., Int J Quantum Chem, in press) reported the form of the G-particle-hole ...
The correlation contracted schrodinger equation: An accurate solution of the G-particle-hole hypervirial
(John Wiley & Sons Inc, 2009-03)
The equation obtained by mapping the matrix representation of the Schrödinger equation with the 2nd-order correlation transition matrix elements into the 2-body space is the so called correlation contracted Schrödinger ...
Convergence and computational efficiency enhancements in the iterative solution of the G-particle-hole hypervirial equation
(John Wiley & Sons Inc, 2011-04)
The G-particle-hole hypervirial (GHV) equation has been recently reported (Valdemoro et al., Sixth International Congress of the International Society for Theoretical Chemical Physics Vancouver: Canada, 2008. Alcoba et ...
Some theoretical questions about the G-particle-hole hypervirial equation
(John Wiley & Sons Inc, 2011-02)
By applying a matrix contracting mapping, involving the G-particle-hole operator, to the matrix representation of the N-electron density hypervirial equation, one obtains the G-particle-hole hypervirial (GHV) equation ...
The contracted Schrödinger equation methodology: Study of the third-order correlation effects
(Springer, 2007-09)
In this paper we analyse the relevant role played by the third-order correlation terms in the contracted Schrödinger equation (CSE) methodology. The quality of the approximations used when evaluating these terms influence ...