✦ LIBER ✦

Large scale multi-configuration Hartree-Fock calculation of the hyperfine structure of the ground state of vanadium

✍ Scribed by Scharf, Oliver ;Gaigalas, Gediminas

Book ID: 107385648
Publisher: Walter de Gruyter GmbH
Year: 2006
Tongue: English
Weight: 293 KB
Volume: 4
Category: Article
ISSN: 2391-5471
DOI: 10.1007/s11534-005-0005-7

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Calculation of s2 correlation in the gro

Calculation of s2 correlation in the ground state of He with Hartree-Fock wavefunctions

✍ Subal Chandra Saha; Sankar Sengupta 📂 Article 📅 1980 🏛 Elsevier Science ⚖ 179 KB

Calculation of Atomic Hyperfine Structur

Calculation of Atomic Hyperfine Structure Constants from Projected Unrestricted Hartree-Fock Functions. Constants of F19

✍ Bessis, N.; Lefebvre-Brion, H.; Moser, C. 📂 Article 📅 1963 🏛 The American Physical Society 🌐 English ⚖ 295 KB

Calculation of the magnetic hyperfine st

Calculation of the magnetic hyperfine structure in the ground electronic state of HCCO

✍ Stanka V. Jerosimić 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 297 KB

Large-scale configuration interaction ca

Large-scale configuration interaction calculations on the π-electron states of benzene

✍ P.J. Hay; I. Shavitt 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 365 KB

Ab initio extcnsivc configuration interaction calculations were wrried out on the n-electron stsies of benzene. Among the three = -+ T;\*(elg+ e,,) sinplet states, 'BzU(SI). 'B1,(SI), and 'El, (S ), the TY\* orbital WZF found tc 3 b2 valence-like in S, and Sz, but diffuse in S3. All three correspon

Ab initio Hartree-Fock calculations with

Ab initio Hartree-Fock calculations with inclusion of a polarized dielectric; formalism and application to the ground state hydrated electron

✍ Newton, Marshall D. 📂 Article 📅 1973 🏛 American Institute of Physics 🌐 English ⚖ 439 KB

State-of-the-art eigensolvers for electr

State-of-the-art eigensolvers for electronic structure calculations of large scale nano-systems

✍ Christof Vömel; Stanimire Z. Tomov; Osni A. Marques; A. Canning; Lin-Wang Wang; 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 190 KB

The band edge states determine optical and electronic properties of semiconductor nano-structures which can be computed from an interior eigenproblem. We study the reliability and performance of state-of-the-art iterative eigensolvers on large quantum dots and wires, focusing on variants of precondi