Ab initio electronic-structure quantum chemistry method, algorithm and program, and their applications in electron transfer, energy transfer reactions.

1.  Z. Chen*, Graphical Representation of Hückel Molecular Orbitals, J. Chem. Educ. 2020, 97, 2, 448-456.
2.  M. Ren, B. Ma, Z. Chen* and W. Wu, Two-Dimensional Analysis of the Diabatic Transition of a General Vectorial Physical Observable Based on Adiabatic-to-Diabatic Transformation, J. Phys. Chem. Lett. 2019, 10, 5868-5872.
3.  X. Lin, X. Liu, F. Ying, Z. Chen* and W. Wu*, Explicit construction of diabatic state and its application to the direct evaluation of electronic coupling, J. Chem. Phys. 2018, 149, 044112.
4.  Zhenhua Chen, Xun Chen and Wei Wu*, 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.
5.  Zhenhua Chen and Mark R. Hoffmann*, Orbitally Invariant Internally Contracted Multireference Unitary Coupled Cluster Theory and Its Perturbative Approximation: Theory and Test Calculations of Second Order Approximation, J. Chem. Phys. 2012, 137, 014108.