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Electronic-structure calculations of praseodymium metal by means of modified density-functional theory
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- Svane, A (author)
- Uppsala universitet
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- Trygg, J (author)
- Uppsala universitet
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- Johansson, B (author)
- Uppsala universitet
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- AMER INST PHYSICS, 1997
- 1997
- English.
- In: PHYSICAL REVIEW B-CONDENSED MATTER. - : AMER INST PHYSICS. - 0163-1829. ; 56:12, s. 7143-7148
- Journal article (other academic/artistic)
Abstract
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- Electronic-structure calculations of elemental praseodymium are presented. Several approximations are used to describe the Prf electrons. It is found that the low-pressure, trivalent phase is well described using either the self-interaction corrected (SIG
Keyword
- ALPHA-GAMMA TRANSITION; HIGH-PRESSURE PHASE; ORBITAL POLARIZATION; CRYSTAL-STRUCTURES; MOTT INSULATORS; CE; SYSTEMS; APPROXIMATION; CERIUM; DELOCALIZATION
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- vet (subject category)
- art (subject category)
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- Eriksson, O
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