grimme 相关例句
权威例句
Semiempirical GGA-type density functional constructed with a long-range dispersion correction.A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-PuAccurate description of van der Waals complexes by density functional theory including empirical correctionsEffect of the damping function in dispersion corrected density functional theoryYou have full text access to this contentSemiempirical GGA-type density functional constructed with a long-range dispersion correctionSemiempirical hybrid density functional with perturbative second-order correlation.Improved second-order Møller–Plesset perturbation theory by separate scaling of parallel- and antiparallel-spin pair correlation e...Density functional theory with London dispersion correctionsKrylov Projection Methods for Model ReductionDensity functional theory with dispersion corrections for supramolecular structures, aggregates, and complexes of (bio)organic molec...
