𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio study including electron correlation of the ground state (X 1Σ+) of SiS

✍ Scribed by Shou-zhong Li; David Moncrieff; Jian-guo Zhao; Franklin B. Brown

Book ID
107733171
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
478 KB
Volume
151
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio calculations of the properties
Ab initio calculations of the properties of NO+ in its ground electronic state X 1Σ+
✍ M. Fehér; P.A. Martin 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 428 KB

The potential energy curves, dipole, quadrupole, octopole and hexadecapole moment functions of the ground X 'Z+ state of NO+ have been calculated at Hartree-Fock, CASSCF, MR-CI and MP2 levels using a [ Ss6p3d] basis set In addition, dipole polansablhtles have also been calculated at the HF and MP2 l

Ab-Initio Calculations of Small Hydrides
Ab-Initio Calculations of Small Hydrides including electron correlation: II. Preliminary results for the CH4 ground state
✍ R. Ahlrichs; W. Kutzelnigg 📂 Article 📅 1968 🏛 Elsevier Science 🌐 English ⚖ 362 KB

The intrapair correlation energy of the CH4 molecule in its equilibrium caniiguration has been calculated by a method described previously by the authors. A value of -0.022 au. per CH-;bond,has been obtained, corresponding to a total energy of -40.312 au. The limit to be obtainable bytaakinginto acc

Electronic structure of YN: the X1Σ+ gro
Electronic structure of YN: the X1Σ+ ground state and the a3Σ+ and A1Σ+ excited states
✍ Zygmunt J. Jakubek; S.G. Nakhate; Benoit Simard 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 210 KB

YN molecules have been produced in a pulsed free jet apparatus by laser vaporizing yttrium metal in the presence of He doped with NH 3 . Laser induced dispersed fluorescence spectra have been studied. Previously unobserved low-energy excited state, a 3 R þ , has been discovered. RKR potential curves