✦ LIBER ✦

MS Xα calculations on the valence auger spectrum of CO

✍ Scribed by Pranawa C. Deshmukh; R.G. Hayes

Publisher: Elsevier Science
Year: 1982
Tongue: English
Weight: 435 KB
Volume: 88
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(82)83030-3

No coin nor oath required. For personal study only.

✦ Synopsis

We have examtned the utdrty OC the MS Xo method of cakulatton of moieeular eleetrorue structure. in tbe transL(tonstale model, as a tool tn the analysis of valence Auger spectra, ustng CO as a test case. The method is not especiaiIy reliable tn preduztlon of ftnalstate energies, but serves reasonably well in prediction of the manyekctron ~ntn~utaon to the fmalstate energies and tn predlciron of lntensuies

📜 SIMILAR VOLUMES

SCF discrete-variational Xα calculations

SCF discrete-variational Xα calculations of the NH4Cl Auger spectrum

✍ G.M. Michailov; G.L. Gutsev; Ju.G. Borod'ko 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 456 KB

MS Xα calculations on the chlorofluorome

MS Xα calculations on the chlorofluoromethanes

✍ Harry J.T. Preston; Joyce J. Kaufman 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 428 KB

## MS Xa calculation\ have been pcrforrncd on the chlorofluoromcthancs (Ci.4, Cl-$1, CF#2, Ci C13, CC4) to BFSW.S the applicability of this method for such mixed haiomethancs. The agreement of the ionk~tion potcntwls calculated from transition state energies with the cvperimcntally mm\ured photoel

Green's function calculations on the Aug

Green's function calculations on the Auger spectra of CO

✍ Christoph-Maria Liegener 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 393 KB

Continuum MS-Xα calculations for core an

Continuum MS-Xα calculations for core and outer valence shell photoionization of PF3

✍ Ivan Powis 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 507 KB

Continuum MSXa calculations are used to investigate photoionization cross sections of the molecule PF,. Shape resonances, accessible from both core and valence orbitals, are found in the a, and e channels although the a2 channel is non-resonant. The essential character of the resonant states is iden

Electronic structre of cyanomethanes cal

Electronic structre of cyanomethanes calculated by the MS Xα method

✍ Jacques Weber; Nadia Thalmann; Edwin Haselbach 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 532 KB

MS Xα calculations of the TiC20−6 cluste

MS Xα calculations of the TiC20−6 cluster in titanium carbide

✍ V.A. Gubanov; J.W.D. Connolly 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 522 KB

Calculations of electronic structure of the TiCi'cluster in titaniunr carbide have been carried out by the MS Xqncthod in the muffm-tin approximation. The energy lcvck calculated arc compared with the cupcrimcntai X-ray cmitsion spectra. Using the transition state procedure the calculations of ;1 nu