✦ LIBER ✦

Quantum mechanical calculation of the ionization potentials of molecules

✍ Scribed by I. Ts. Lyast

Publisher: SP MAIK Nauka/Interperiodica
Year: 1965
Tongue: English
Weight: 374 KB
Volume: 6
Category: Article
ISSN: 0022-4766
DOI: 10.1007/bf00745947

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Quantum-mechanical treatment of molecule

Quantum-mechanical treatment of molecules. I. Calculations of the potential energy curves and molecular constants of the ground and ionized states of N2

✍ R. C. Sahni; B. C. Sawhney 📂 Article 📅 1967 🏛 John Wiley and Sons 🌐 English ⚖ 867 KB

Direct calculation of ionization potenti

Direct calculation of ionization potentials of closed-shell atoms and molecules

✍ Lorenz S. Cederbaum 📂 Article 📅 1973 🏛 Springer 🌐 English ⚖ 979 KB

Ionization potentials of some molecules

✍ K. Watanabe; Toshio Nakayama; Joseph Mottl 📂 Article 📅 1962 🏛 Elsevier Science 🌐 English ⚖ 842 KB

Direct calculation of ionization potenti

Direct calculation of ionization potentials of atoms and molecules: application to Ne

✍ L.S Cederbaum; W Von Niessen 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 465 KB

Local potential error in quantum Monte C

Local potential error in quantum Monte Carlo calculations of the Mg ionization potential

✍ P.A. Christiansen; L.A. Lajohn 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 302 KB

The Mg ionization potential was computed using quantum Monte Carlo simulations with localized effective potentials replacing the core electrons. It was found that good agreement with the experimental value (0.2814(3) au versus 0.2810 experimental) could be obtained when two configurations (3s' and 3

DVM Xα calculations of ionization potent

DVM Xα calculations of ionization potentials of the SF6 molecule

✍ G.L. Gutzev; A.A. Levin 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 378 KB

~onimtion potent&k of the S& mokxzde have been c&-ted with the kelp of the discrete variatioti Xp method. A basis of numesicaI Hartree-Fock fknctions has been used. 3d Slater-type functions$ave also been included into the basis set in order to investigate the effect of 3d sulphur orbitals. The ordmi