✦ LIBER ✦

Comment on “non-non crossing in molecular potential energy curves”

✍ Scribed by N. Moiseyev; G.F. Kventsel; J. Katriel

Publisher: Elsevier Science
Year: 1978
Tongue: English
Weight: 98 KB
Volume: 57
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(78)85554-7

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Non-non-crossings in molecular potential

Non-non-crossings in molecular potential energy curves

✍ G.J. Hatton; W.L. Lichten; N. Ostrove 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 338 KB

This article points out a new aspect of approximate calculations of molecular potential curves\_ Two curves that cross in an exact solution of the ekctronic wave equation may avoid each other when an approsimate method is used. This is in direct contradiction to the usual interpretation of the van N

On the non-crossing rule for potential e

On the non-crossing rule for potential energy surfaces of polyatomic molecules

✍ K. Razi Naqvi 📂 Article 📅 1972 🏛 Elsevier Science 🌐 English ⚖ 178 KB

It is shown that the non-crossing rule for the intersection of potential energy curves of diatomic molecules applies also to potential energy surfaces of polyatomic molecules.

Prediction of molecular excited state pr

Prediction of molecular excited state properties, potential energy curves, and the non-closed shell many-electron theory

✍ Oktay Sinanoǧlu 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 916 KB

The effect of non-bonded H ⋯ H potential

The effect of non-bonded H ⋯ H potentials on calculated molecular conformations and steric energies

✍ D.N.J. White; M.J. Bovill 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 406 KB

Influence of the non-diagonal part of th

Influence of the non-diagonal part of the potential energy matrix in the SbC13 molecule on the results of calculating the force constants of intermolecular interaction

✍ A. V. Kondyurin; N. K. Byelousova; S. L. Byelousova; A. T. Kozulin 📂 Article 📅 1992 🏛 John Wiley and Sons 🌐 English ⚖ 465 KB