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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 InformationWei 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).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).Wei Li and Shuhua Li*
A localized molecular-orbital assembler approach for Hartree-Fock calculations of large molecules
J. Chem. Phys. 122, 194109 (2005).Wei Li and Shuhua Li*
Divide-and-conquer local correlation approach to the correlation energy of large molecules
J. Chem. Phys. 121, 6649 (2004).