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Application of Gaus...
Application of Gaussian-type basis sets to ab initio calculations in strong magnetic fields
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- Kravchenko, YP (författare)
- Uppsala universitet,Fysiska institutionen
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Liberman, MA (författare)
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(creator_code:org_t)
- JOHN WILEY & SONS INC, 1997
- 1997
- Engelska.
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Ingår i: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. - : JOHN WILEY & SONS INC. - 0020-7608. ; 64:5, s. 513-522
- Relaterad länk:
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https://urn.kb.se/re...
Abstract
Ämnesord
Stäng
- 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
Nyckelord
- MOLECULAR SCHRODINGER-EQUATIONS; FULLY NUMERICAL-SOLUTIONS; HYDROGENIC ATOMS; ORBITAL BASES; H-2(+) ION; PRIMITIVES; H-2+; BOND; HEH
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