Functionals相关论文
Assessing Density Functionals for Describing Methane Dissociative Chemisorption on Pt(110)-(2 × 1) S
In this work,we explore the suitabil-ity of several density functionals with the generalized gradient approxima-tion (GG......
Benchmark Study of Popular Density Functionals for Calculating Binding Energies of Three-Center Two-
Density functional theory(DFT)can be used to study the three-center two-electron(3c2e)bonding mode,which is universal in......
LET X=（X<sub>t</sub>,P<sup>x</sup>） be a right Markov process with state space （E,ε）, semigroup （P<sub>1</sub>） andresolvent ......
