𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio study of the potential energy surface of the lowest A1 symmetry excited state of H2S

✍ Scribed by Françoise Flouquet

Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
563 KB
Volume
13
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio studies of the ground-state po
Ab initio studies of the ground-state potential energy surface of formamide
✍ Gregory M. Wright; Richard J. Simmonds; David E. Parry 📂 Article 📅 1988 🏛 John Wiley and Sons 🌐 English ⚖ 399 KB

A b initio calculations employing a standard double-zeta basis set augmented with various polarization functions have been used to investigate the lowest energy region of the ground-state potential energy surface of the formamide molecule. Hartree-Fock calculations with only d polarization functions

Ab initio CI LCAO calculations of the lo
Ab initio CI LCAO calculations of the lowest core-excited Σ resonant states of H−2
✍ Johanna A. van der Hart; J.J.C. Mulder 📂 Article 📅 1979 🏛 Elsevier Science 🌐 English ⚖ 372 KB

The energy v&es of the Io\\est "22 Feshbach resonzmce in rbe I l-15 eV region nre cafculnted m a rel~t~~ef~ smdI but carefully optimized ST0 basis set. ;\dd%ional information is obt.Gncd for the Z& rescxnant state. The dominnnt configuretions in the nsvefunctions are given.