Group molecular orbital approach to solve the Huzinaga subsystem self-consistent-field equations

The variational subspace valence bond method

(2015) Graham D. Fletcher   JOURNAL OF CHEMICAL PHYSICS

The Use of Many-Body Expansions and Geometry Optimizations in Fragment-Based Methods

(2014) Dmitri G. Fedorov et al.   ACCOUNTS OF CHEMICAL RESEARCH

Molecular Tailoring Approach: A Route for ab Initio Treatment of Large Clusters

(2014) Nityananda Sahu et al.   ACCOUNTS OF CHEMICAL RESEARCH

Nonorthogonal molecular orbital method: Single-determinant theory

(2014) Yoshihiro Watanabe et al.   JOURNAL OF CHEMICAL PHYSICS

Modeling environment effects on pigment site energies: Frozen density embedding with fully quantum-chemical protein densities

(2014) Albrecht Goez et al.   Computational and Theoretical Chemistry

How does it become possible to treat delocalized and/or open-shell systems in fragmentation-based linear-scaling electronic structure calculations? The case of the divide-and-conquer method

(2012) Masato Kobayashi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Systematic fragmentation of large molecules by annihilation

(2012) Michael A. Collins   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Fragmentation Methods: A Route to Accurate Calculations on Large Systems

(2011) Mark S. Gordon et al.   CHEMICAL REVIEWS

Partition density-functional theory

(2010) Peter Elliott et al.   PHYSICAL REVIEW A

The role of the exchange in the embedding electrostatic potential for the fragment molecular orbital method

(2009) Dmitri G. Fedorov   JOURNAL OF CHEMICAL PHYSICS