New schemes for internally contracted multi-reference configuration interaction

Topology of conical/surface intersections among five low-lying electronic states of CO2: Multireference configuration interaction calculations

(2013) Bo Zhou et al.   JOURNAL OF CHEMICAL PHYSICS

New implementation of the configuration-based multi-reference second order perturbation theory

(2012) Yibo Lei et al.   JOURNAL OF CHEMICAL PHYSICS

A comparison of various approaches in internally contracted multireference configuration interaction: the carbon dimer as a test case

(2012) Celestino Angeli et al.   MOLECULAR PHYSICS

Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications

(2011) Péter G. Szalay et al.   CHEMICAL REVIEWS

A new internally contracted multi-reference configuration interaction method

(2011) K. R. Shamasundar et al.   JOURNAL OF CHEMICAL PHYSICS

Matrix element evaluation in the unitary group approach to the 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

Electronic structure calculations of low-lying electronic states of O3

(2010) Huixian Han et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The potential energy curves of low-lying electronic states of S2O

(2008) Huixian Han et al.   JOURNAL OF CHEMICAL PHYSICS