𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The high energy approximation and slightly non-local potentials

✍ Scribed by J.F. Reading


Publisher
Elsevier Science
Year
1966
Weight
290 KB
Volume
20
Category
Article
ISSN
0031-9163

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Approximate diatomics-in-molecules poten
✍ F. Schneider; L. ZΓΌlicke πŸ“‚ Article πŸ“… 1979 πŸ› Elsevier Science 🌐 English βš– 367 KB

The method of diatomics-in-molecules (DIM) which constructs the hamiltonian matrix semi-empirically from known atomic and diatomic fragment energy data, is used to generate approximate 3D potential energy hypersurfaces and nonadiabatic coupling coefficients for the system (HeHH) +. To reduce the siz

Study of transition-state methods in the
✍ Patrick Duffy; Delano P. Chong πŸ“‚ Article πŸ“… 1993 πŸ› John Wiley and Sons 🌐 English βš– 428 KB

The vertical ionization potentials of nine small molecules were computed by the deMon density functional program and different versions of the transition-state method and the results were compared with earlier calculations and with experiment. The average absolute deviation of the 38 computed ioniza

Total energies of molecules with the loc
✍ Kazuo Kitaura; Chikatoshi Satoko; Keiji Morokuma πŸ“‚ Article πŸ“… 1979 πŸ› Elsevier Science 🌐 English βš– 504 KB

Is Augst 1979 TOTAL ENERGIES OF MOLECULES WITH THE LOCAL DENSITY FUNCTIONAL APPROXIMATION AND GAUSSLAN BASIS SETS ELIZUO KITAURA, Chikatoshi SATOKO end Keiji biOROKUhlA Im~inirc for \_tIokcuIar Scimcr. ni.daiji\_ Okazaki 4-M. Japan Rtxched 2 1 11.~ 1979 Total energies of small molecuk~ xtere calcula