✦ LIBER ✦

Analytical ab initio potential-energy surfaces for the ground and the first singlet excited states of HeH2

✍ Scribed by Stavros C. Farantos; J.N. Murrell; S. Carter

Publisher: Elsevier Science
Year: 1984
Tongue: English
Weight: 476 KB
Volume: 108
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(84)85208-2

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 determination of the ground-st

Ab initio determination of the ground-state potential energy curve for Ar2

✍ M. Krauss; W.J. Stevens 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 360 KB

Bending potentials for H2O in the ground

Bending potentials for H2O in the ground and the first six singlet excited states

✍ Giannoula Theodorakopoulos; Ioannis D. Petsalakis; Robert J. Buenker; Sigrid D. 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 354 KB

Ab initio calculations on the singlet an

Ab initio calculations on the singlet and triplet energy surfaces for CsiH2

✍ A.C. Hopkinson; M.H. Lien; L.G. Csizmadia 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 256 KB

Ab initio calculations of the ground and

Ab initio calculations of the ground and excited states of H2S

✍ I.H. Hillier; V.R. Saunders 📂 Article 📅 1970 🏛 Elsevier Science 🌐 English ⚖ 237 KB

Potential energy curves for the ground a

Potential energy curves for the ground and excited states of alh+

✍ Martyn F. Guest; David M. Hirst 📂 Article 📅 1981 🏛 Elsevier Science 🌐 English ⚖ 394 KB

PotentA energy curves for low-lying doublet states of AlH+ dlssociatmg to Ai+ + H, Al+(3P) f H, Ai+ f Hand Al(\*P) + H+ have been detemuned by ab mitt0 confiiatton interaction calculations. Tbe B' \*E+ state is predicted to be bound with a bond length of 2.06 A. Shallow muum are found for 4 \*Z+ and