Tensor hypercontraction. II. Least-squares renormalization

Distance-dependent Schwarz-based integral estimates for two-electron integrals: Reliable tightness vs. rigorous upper bounds

(2012) Simon A. Maurer et al.   JOURNAL OF CHEMICAL PHYSICS

Communication: Tensor hypercontraction. III. Least-squares tensor hypercontraction for the determination of correlated wavefunctions

(2012) Edward G. Hohenstein et al.   JOURNAL OF CHEMICAL PHYSICS

Tensor hypercontraction density fitting. I. Quartic scaling second- and third-order Møller-Plesset perturbation theory

(2012) Edward G. Hohenstein et al.   JOURNAL OF CHEMICAL PHYSICS

Tensor decomposition in post-Hartree–Fock methods. I. Two-electron integrals and MP2

(2011) Udo Benedikt et al.   JOURNAL OF CHEMICAL PHYSICS

Psi4: an open-source ab initio electronic structure program

(2011) Justin M. Turney et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Variational geminal-augmented multireference self-consistent field theory: Two-electron systems

(2010) Sergey A. Varganov et al.   JOURNAL OF CHEMICAL PHYSICS

Efficient Structure Optimization with Second-Order Many-Body Perturbation Theory: The RIJCOSX-MP2 Method

(2010) Simone Kossmann et al.   Journal of Chemical Theory and Computation

Higher order singular value decomposition in quantum chemistry

(2010) F. Bell et al.   MOLECULAR PHYSICS

Atomic Cholesky decompositions: A route to unbiased auxiliary basis sets for density fitting approximation with tunable accuracy and efficiency

(2009) Francesco Aquilante et al.   JOURNAL OF CHEMICAL PHYSICS

Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange

(2008) Frank Neese et al.   CHEMICAL PHYSICS

Minimax approximation for the decomposition of energy denominators in Laplace-transformed Møller–Plesset perturbation theories

(2008) Akio Takatsuka et al.   JOURNAL OF CHEMICAL PHYSICS

Pseudospectral time-dependent density functional theory

(2008) Chaehyuk Ko et al.   JOURNAL OF CHEMICAL PHYSICS