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Application of Gaussian-type basis sets to ab initio calculations in strong magnetic fields
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics.
1997 (English)In: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, ISSN 0020-7608, Vol. 64, no 5, 513-522 p.Article in journal (Other scientific) Published
Abstract [en]

It is shown that systematically constructed Gaussian-type basis sets applied to simplest one-electron systems in magnetic field varying from 0 to 2 x 10(8) T can reliably provide accuracy 10(-6) hartrees and better. Important features of the considered ty

Place, publisher, year, edition, pages
JOHN WILEY & SONS INC , 1997. Vol. 64, no 5, 513-522 p.
Keyword [en]
MOLECULAR SCHRODINGER-EQUATIONS; FULLY NUMERICAL-SOLUTIONS; HYDROGENIC ATOMS; ORBITAL BASES; H-2(+) ION; PRIMITIVES; H-2+; BOND; HEH+
Identifiers
URN: urn:nbn:se:uu:diva-72772OAI: oai:DiVA.org:uu-72772DiVA: diva2:100683
Note
Addresses: Kravchenko YP, UNIV UPPSALA, DEPT PHYS, BOX 530, S-75121 UPPSALA, SWEDEN. RUSSIAN ACAD SCI, PL KAPITSA PHYS PROBLEMS INST, MOSCOW 117334, RUSSIA.Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-15

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