已发表成果:
WOK 论文 23 篇;其它论文 1 篇;
Nature of ultrafast dynamics in the lowest-lying singlet excited state of [Ru(bpy)<sub>3</sub>]<SUP>2+</SUP>
String-Based Method for Deriving Russell-Saunders Terms
Compact and accurate ab initio valence bond wave functions for electron transfer: The classic but challenging covalent-ionic interaction in LiF
Extended Mulliken-Hush Method with Applications to the Theoretical Study of Electron Transfer
N-Body Reduced Density Matrix-Based Valence Bond Theory and Its Applications in Diabatic Electronic-Structure Computations
Valence Bond Alternative Yielding Compact and Accurate Wave Functions for Challenging Excited States. Application to Ozone and Sulfur Dioxide
Ab initio valence bond theory: A brief history, recent developments, and near future
Electronic and structural relations between solid CaB6 and the molecular dianion B6H6(2-): A computational study
Graphical Representation of Huckel Molecular Orbitals
Novel implementation of seniority number truncated valence bond methods with applications to H22 chain
Two-Dimensional Analysis of the Diabatic Transition of a General Vectorial Physical Observable Based on Adiabatic-to-Diabatic Transformation
Two-Dimensional Analysis of the Diabatic Transition of a General Vectorial Physical Observable Based on Adiabatic-to-Diabatic Transformation
Explicit construction of diabatic state and its application to the direct evaluation of electronic coupling
Reciprocal transformation of seniority number restricted wave function
A comparative study on seniority-based MO and VS calculations of the singlet and triplet energy gaps of open-shell molecules
The driving force for Pi-bond localization and bond alternation in trisannelated benzenes
The application of cholesky decomposition in valence bond calculation
Seniority Number in Valence Bond Theory
XMVB 2.0: A new version of Xiamen Valence Bond program
Application of protograph-based LDPC codes in underwater acoustic channels
Nonorthogonal orbital based n -body reduced density matrices and their applications to valence bond theory. III. Second-order perturbation theory using valence bond self-consistent field function as reference
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
DFVB: A Density-Functional-Based Valence Bond Method
价键理论中的Seniority数
中国化学会第30届学术年会摘要集-第十八分会:电子结构理论方法的发展与应用,,2016-07-01.