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- Kravchenko, YPUppsala universitet,Fysiska institutionen (author)
Application of Gaussian-type basis sets to ab initio calculations in strong magnetic fields
- Article/chapterEnglish1997
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- JOHN WILEY & SONS INC,1997
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- LIBRIS-ID:oai:DiVA.org:uu-72772
- https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-72772URI
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- Language:English
- Summary in:English
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- Addresses: Kravchenko YP, UNIV UPPSALA, DEPT PHYS, BOX 530, S-75121 UPPSALA, SWEDEN. RUSSIAN ACAD SCI, PL KAPITSA PHYS PROBLEMS INST, MOSCOW 117334, RUSSIA.
- 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
Subject headings and genre
- MOLECULAR SCHRODINGER-EQUATIONS; FULLY NUMERICAL-SOLUTIONS; HYDROGENIC ATOMS; ORBITAL BASES; H-2(+) ION; PRIMITIVES; H-2+; BOND; HEH+
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- Liberman, MA (author)
- Uppsala universitetFysiska institutionen (creator_code:org_t)
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- In:INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY: JOHN WILEY & SONS INC64:5, s. 513-5220020-7608
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