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The Journal of Chemical Physics|May 17, 2013
Fukui function and response function for nonlocal and fractional systemsDegao Peng, Weitao Yang
The Journal of Chemical Physics|June 21, 2006
Legendre-transform functionals for spin-density-functional theoryPaul W Ayers, Weitao Yang
The Journal of Chemical Physics|August 24, 2013
Wave function methods for fractional electronsStephan N Steinmann, Weitao Yang
The Journal of Chemical Physics|June 21, 2006
A combined explicit-implicit method for high accuracy reaction path integrationSteven K Burger, Weitao Yang
Wu Li Hua Xue Xue Bao = Acta Physico-Chimica Sinica|May 14, 2019
Perspective: Chemical Information Encoded in Electron DensityJulia Contreras-García, Weitao Yang
Physical Review. B|May 21, 2026
Correcting Delocalization Error in Materials with Localized Orbitals and Linear-Response ScreeningJacob Z Williams, Weitao Yang
The Journal of Chemical Physics|February 14, 2006
Quadratic string method for determining the minimum-energy path based on multiobjective optimizationSteven K Burger, Weitao Yang
The Journal of Chemical Physics|November 6, 2007
Sequential quadratic programming method for determining the minimum energy pathSteven K Burger, Weitao Yang
The Journal of Chemical Physics|June 25, 2010
Structural manifestation of the delocalization error of density functional approximations: C(4N+2) rings and C(20) bowl, cage, and ring isomersTim Heaton-Burgess, Weitao Yang
The Journal of Chemical Physics|January 4, 2007
Automatic integration of the reaction path using diagonally implicit Runge-Kutta methodsSteven K Burger, Weitao Yang
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