Export 5 results:
Filters: Keyword is CORRECT ASYMPTOTIC-BEHAVIOR [Clear All Filters]
The Calculation Of Field Shift Effects In The Rotational Spectra Of Heavy Metal-Containing Diatomic Molecules Using Density Functional Theory: Comparison With Experiment For The Tl-Halides And Pb-Chalcogenides. Chemical Physics 2004, 298, 205-212.
Functional Derivative Of The Universal Density Functional In Fock Space. Phys. Rev. A 2004, 70, 042503.
Transferable Local Pseudopotentials Derived Via Inversion Of The Kohn-Sham Equations In A Bulk Environment. Phys. Rev. B 2004, 69, 125109.
Dft Calculation Of Core-Electron Binding Energies. Journal of Electron Spectroscopy and Related Phenomena 2003, 133, 69-76.
Time-Dependent Density Functional Study Of The Static Second Hyperpolarizability Of Bb-, Nn- And Bn-Substituted C-60. Chemical Physics Letters 2002, 359, 524-529.