The multifacet graphically contracted function method. I. Formulation and implementation

The multifacet graphically contracted function method. II. A general procedure for the parameterization of orthogonal matrices and its application to arc factors

(2014) Ron Shepard et al.   JOURNAL OF CHEMICAL PHYSICS

Wave function analysis with Shavitt graph density in the graphically contracted function method

(2014) Gergely Gidofalvi et al.   THEORETICAL CHEMISTRY ACCOUNTS

Multireference configuration interaction theory using cumulant reconstruction with internal contraction of density matrix renormalization group wave function

(2013) Masaaki Saitow et al.   JOURNAL OF CHEMICAL PHYSICS

Orbital Entanglement in Bond-Formation Processes

(2013) Katharina Boguslawski et al.   Journal of Chemical Theory and Computation

Longitudinal static optical properties of hydrogen chains: Finite field extrapolations of matrix product state calculations

(2012) Sebastian Wouters et al.   JOURNAL OF CHEMICAL PHYSICS

Spin-adapted density matrix renormalization group algorithms for quantum chemistry

(2012) Sandeep Sharma et al.   JOURNAL OF CHEMICAL PHYSICS

The Density Matrix Renormalization Group in Quantum Chemistry

(2011) Garnet Kin-Lic Chan et al.   Annual Review of Physical Chemistry

Columbus-a program system for advanced multireference theory calculations

(2011) Hans Lischka et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

The density-matrix renormalization group in the age of matrix product states

(2010) Ulrich Schollwöck   ANNALS OF PHYSICS

Graph theoretical concepts for the unitary group approach to the many-electron correlation problem

(2010) Isaiah Shavitt   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

An efficient recursive algorithm to compute wave function optimization gradients for the graphically contracted function method

(2010) Ron Shepard et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Exploiting sparsity in the graphically contracted function configuration interaction method

(2010) Gergely Gidofalvi et al.   MOLECULAR PHYSICS

The evaluation of spin-density matrices within the graphically contracted function method

(2009) Gergely Gidofalvi et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Computation of determinant expansion coefficients within the graphically contracted function method

(2009) Gergely Gidofalvi et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Evaluation of the Spin−Orbit Interaction within the Graphically Contracted Function Method†

(2009) Scott R. Brozell et al.   JOURNAL OF PHYSICAL CHEMISTRY A

On the spin and symmetry adaptation of the density matrix renormalization group method

(2008) Dominika Zgid et al.   JOURNAL OF CHEMICAL PHYSICS