PUBLICATIONS

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138. Liang, W.; Wu, W., Theory and algorithms for the excited states of large molecules and molecular aggregates, Sci. China Chem., 2013, 56, 1267-1270.
137. Chen, Z.; Chen, X.; Wu, W., Nonorthogonal Orbital Based N-body Reduced Density Matrices and Their Applications to Valence Bond Theory II: An Efficient Algorithm for Matrix Elements and Analytical Energy Gradients in VBSCF Method, J. Chem. Phys., 2013, 138, 164120.
136. Chen, Z.; Chen, X.; Wu, W., Nonorthogonal Orbital Based N-body Reduced Density Matrices and Their Applications to Valence Bond Theory I: Hamiltonian Matrix Elements between Internally Contracted Excited Valence Bond Wave Functions, J. Chem. Phys., 2013, 138, 164119.
135. Wang, C.; Chen, Z.; Wu, W.; Mo, Y. How the Generalized Anomeric Effect Influences the Conformational Preference? Chem. Euro. J., 2013, 19, 1436-1444..
134. Song, J.; Chen, Z.; Shaik.; Wu, W., An Efficient Algorithm for Complete Active Space VBSCF Calculation, J. Comput. Chem., 2013, 34, 38-48.
133. Su, P.; Wu, W., Ab Initio Non-orthogonal Valence Bond Methods, WIREs Compt Mol Sci., 2013, 3, 56-68.