𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The calculation of the multiple interactions of atoms in molecules

✍ Scribed by Yu. G. Papulov

Publisher
SP MAIK Nauka/Interperiodica
Year
1964
Tongue
English
Weight
122 KB
Volume
4
Category
Article
ISSN
0022-4766

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

A note on the importance of d orbitals i
A note on the importance of d orbitals in the calculation of effective interactions and the excitation spectra of atoms and molecules
✍ Sharon Cherng; Paul Westhaus πŸ“‚ Article πŸ“… 1977 πŸ› John Wiley and Sons 🌐 English βš– 622 KB

## Abstract The focal point of our discussion is the examination of truncated basis sets used in obtaining an accurate first principles clculation of the effective valence shell Hamiltonian by the canonical transformation‐cluster expansion approasch. Subsequent diagonalization of this effecitve val

Calculation of magnetic response propert
Calculation of magnetic response properties using atoms in molecules
✍ T.A. Keith; R.F.W. Bader πŸ“‚ Article πŸ“… 1992 πŸ› Elsevier Science 🌐 English βš– 761 KB

A new method (IGAIM -individual gauges for atoms in molecules) is presented for relatively accurate ab initio calculations of molecular magnetic response properties. The current density induced within an atom in a molecule by an external magnetic field is well described by the coupled, perturbed Har

A study of atom-atom and atom-molecule i
A study of atom-atom and atom-molecule interactions in the resonance extraction of sodium atoms
✍ Zh.L. Shvegzhda; S.M. Papernov; M.L. Janson πŸ“‚ Article πŸ“… 1983 πŸ› Elsevier Science 🌐 English βš– 483 KB

The formstion of Xa0t'I.l and N32 (A \*XG. B 'II,) it1 sodittttt v.tpottr [= 1Cl14-10'" cm-") irradktted b?\_ 3 IX d?\_e laser tuned IO the 1) lines 11.1s been studied. The density of ewited dtotns ~3s detertnined by ntemtren~entsof the relathe Jbsorption of 3 2P-3 'D transitions. These, together u