Exploiting the spatial locality of electron correlation within the parametric two-electron reduced-density-matrix method

Activation energies of sigmatropic shifts in propene and acetone enolate from the anti-Hermitian contracted Schrödinger equation

(2009) Jonathan J. Foley et al.   JOURNAL OF CHEMICAL PHYSICS

Open-shell molecular electronic states from the parametric two-electron reduced-density-matrix method

(2009) A. Eugene DePrince et al.   JOURNAL OF CHEMICAL PHYSICS

Local correlation calculations using standard and renormalized coupled-cluster approaches

(2009) Wei Li et al.   JOURNAL OF CHEMICAL PHYSICS

Four new forms of the contracted Schrödinger equation and their connection with the second-order hypervirial condition

(2008) C. Valdemoro et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Parametric two-electron reduced-density-matrix method applied to computing molecular energies and properties at nonequilibrium geometries

(2008) A. Eugene DePrince et al.   JOURNAL OF CHEMICAL PHYSICS

Energy Barriers in the Conversion of Bicyclobutane togauche-1,3-Butadiene from the Anti-Hermitian Contracted Schrödinger Equation

(2008) David A. Mazziotti   JOURNAL OF PHYSICAL CHEMISTRY A

Molecular Geometries and Harmonic Frequencies from the Parametric Two-Electron Reduced Density Matrix Method with Application to the HCN ↔ HNC Isomerization†

(2008) A. Eugene DePrince III et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Exploring the accuracy of relative molecular energies with local correlation theory

(2008) Joseph E Subotnik et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Parametrization of the Two-Electron Reduced Density Matrix for its Direct Calculation without the Many-Electron Wave Function

(2008) David A. Mazziotti   PHYSICAL REVIEW LETTERS