✦ LIBER ✦

The influence of electron correlation On the compton profile of H2O

✍ Scribed by V.H. Smith Jr.; G.H.F. Diercksen; W.P. Kraemer

Publisher: Elsevier Science
Year: 1975
Tongue: English
Weight: 134 KB
Volume: 54
Category: Article
ISSN: 0375-9601
DOI: 10.1016/0375-9601(75)90276-5

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Electron correlation and the compton pro

Electron correlation and the compton profile of atomic neon

✍ Vedene H. Smith Jr.; Richard Edwin Brown 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 450 KB

The radial momentum distribution lo(p) and the Compton profile Jc(l!) are determined for atomic neon from several restricted Hartrec-Fock (RHF) wavefunctions and two configuration interaction (CI) wavefunctions. The CI functions are the we!l correlated (fulI "second-order") function of Viers, Schaef

Vibrational correction to the calculatio

Vibrational correction to the calculation of the Compton profile of H2

✍ R.C. Ulsh; R.A. Bonham; L.S. Bartell 📂 Article 📅 1972 🏛 Elsevier Science 🌐 English ⚖ 297 KB

The Comptoli profile of Hz is calculated, with and without a vibrational effect included, using a Wang wavefunction :. : It is found that the a.timmonicity of the HZ potenta energy curve causes a 1% increase in J(q) at low electron ,:

H-bond contribution to the Compton profi

H-bond contribution to the Compton profile of water

✍ A. Seth; E.J. Baerends 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 293 KB

Self-consistent wnvcfunctlon\ ,trc obt,uncd III t11u tiT;S Xa! model for a tree water molecule ns well as dimcrs nnd trirncrs. 'l hc dnrier and tnmer results nrc 5yr~thcsi~cd to deduce the contr:bution of the Iiydrogcn bond to tilt Compton profile of water. Illis otfcrb a wry re.3son.3blc cxplanntlo

Influence of rigid-body motion on the de

Influence of rigid-body motion on the deformation electron density of H2O

✍ Kersti Hermansson 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 547 KB

The influence of translational and librational motion on the theoretical deformation electron density of a water molecule is investigated. The translational motiqn dominates the thermal smearing ekcept in the vicinity of the hydrogen atoms at low temperatures\_

The influence of geometrical resolution

The influence of geometrical resolution of a gamma ray spectrometer on the asymmetry of Compton profiles

✍ D.L. Anastassopoulos; G.D. Priftis 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 428 KB

Semi-internal correlation in the auger e

Semi-internal correlation in the auger electron spectrum of H2O

✍ Hans Ågren; Hans Siegbahn 📂 Article 📅 1980 🏛 Elsevier Science 🌐 English ⚖ 474 KB

The IiLL Auger electron spectrum oi the Hz0 molecule has been studed with respect to the transmons of lowest bmetic energy Calculations were performed to deduce the role of senu-mternal correlation m decidmg energies and mtensmes of the transmons. Previous studies of photoelectron specua of mner val