✦ LIBER ✦

Calculation of the potential energy curves for the low-lying doublet and quartet states of the CN radical

✍ Scribed by Haruhiko Ito; Yasushi Ozaki; Takashi Nagata; Tamotsu Kondow; Kozo Kuchitsu; Kazuo Takatsuka; Hiroki Nakamura; Yoshihiro Osamura

Publisher: Elsevier Science
Year: 1985
Tongue: English
Weight: 748 KB
Volume: 98
Category: Article
ISSN: 0301-0104
DOI: 10.1016/0301-0104(85)80096-3

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Nonempirical calculation of the potentia

Nonempirical calculation of the potential curves of linear molecules. Low-lying states of BN

✍ Yu. G. Khait; V. I. Baranovskii 📂 Article 📅 1980 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 489 KB

Ab initio calculations of the doublet an

Ab initio calculations of the doublet and quartet states of BH+

✍ Isao Kusunoki 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 362 KB

Potential curves of six low-lying doublet states and four quartet states of the BH+ ion have been calculared using an MCSCF + Cl method \hrlth a triple-zeta plus polarization basis set-The resulrs for the doublet slares are compared with orher calcularions and experiments.The results for the quartet

Potential energy surfaces of low-lying s

Potential energy surfaces of low-lying states of the aluminum trimer

✍ Gianfranco Pacchioni; Piercarlo Fantucci; Jaroslav Koutecký 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 516 KB

SCF potential energy curves of CN+. The

SCF potential energy curves of CN+. The identify of the ground state

✍ A.A. Wu 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 354 KB

Configuration interaction calculation of

Configuration interaction calculation of the potential curves for the C3 molecule in its ground and lowest-lying Πu states

✍ J. Perić-Radić; J. Römelt; S.D. Peyerimhoff; R.J. Buenker 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 648 KB

## Lehruuhl firr 77worctische Chcrruc, Gcsurntizoc~~sciru( Wppertal. D-5600 rVuppertaI-Elhcrfef~. tiermany KcLcivctl 24 hlsy 1977 Ab initio SCF dntl CI calculations arc reported for the C3 molcculc using a basis set of doublc-rcta plus polanzation quality. Potcntinl curvc5 arc obt.Grcd for tlrc cy

A theoretical study of the low-lying dou

A theoretical study of the low-lying doublet states of the molecular ions GaF+ and GaCl+

✍ Megumi Yoshikawa; David M. Hirst 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 347 KB

Preliminary ab initio MRCI potential-energy curves are presented for the low-lying doublet states of the molecular ions GaF + and GaC! + correlating with the dissociation asymptotes Ga + (IS, 3p) + F, C1 (2p). The two lowest 2E+ states are bound and arise from avoided intersections between the repul