Yang Guo, Wei Li, and Shuhua Li*
Improved cluster-in-molecule approach for electron correlation calculation of large systems
Submitted to J. Chem. Phys.
Supporting Information
Yang Guo, Wei Li, and Shuhua Li*
An improved localized molecular-orbital assembler approach for
Hartree-Fock calculations of general large molecules
Submitted to Chem. Phys. Lett.
Supporting Information
Yang Guo, Wei Li, and Shuhua Li*
An efficient linear scaling procedure for constructing localized orbitals
of large molecules based on the one-particle density matrix
J. Chem. Phys. 135, 134107 (2011).
Supporting Information
Coordinates in XYZ format
Wei Li, Weijie Hua, Fang Tao, and Shuhua Li*
The energy-based fragmentation approach for computing total energies,
structures, and molecular properties of large systems at the ab initio
levels
Submitted as a chapter to the Wiley book on Computational Methods
for Large Systems. Supporting Information
Wei Li, Shuhua
Li,* and Yuansheng Jiang
Generalized Energy-Based Fragmentation Approach for Computing the
Ground-State Energies and Properties of Large Molecules
J. Phys. Chem. A 111, 2193 (2007).
Supporting Information
Shuhua Li,* Jun
Shen, Wei Li and Yuansheng Jiang
An efficient implementation of the "Cluster-in-molecule"
approach for local electron correlation calculations
J. Chem. Phys. 125, 074109 (2006).
Supporting Information
Wei Li, Tao Fang,
and Shuhua Li*
A fragment energy assembler method for Hartree-Fock calculations of
large molecules
J. Chem. Phys. 124, 154102 (2006).
Supporting Information
Wei Li and Shuhua
Li*
A localized molecular-orbital assembler approach for Hartree-Fock
calculations of large molecules
J. Chem. Phys. 122, 194109 (2005).Supporting
Information
Wei Li and Shuhua
Li*
Divide-and-conquer local correlation approach to the correlation energy
of large molecules
J. Chem. Phys. 121, 6649 (2004).
Supporting Information