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Journal Articles

Improved density functional calculations including magnetic effects for RfCl$$_{4}$$ and its homologues

Anton, J.*; Hirata, Masaru; Fricke, B.*; Pershina, V.*

Chemical Physics Letters, 380(1-2), p.95 - 98, 2003/10

https://doi.org/10.1016/j.cplett.2003.09.010
 Times Cited Count：6 Percentile：18.14(Chemistry, Physical)

We use the newly developed non collinear spin polarized density functional method to describe the tetrachlorides of element Rutherfordium (Rf) and its homologues. It is the first time that a real three-dimensional molecule is described with this method. Without any additional corrections (used so far for the atomic values) we get nearly complete agreement for all homologues and thus a good prediction for the unknown value for RfCl$$_{4}$$.

Journal Articles

Relativistic effects on chaos; Loss mechanism of runaway electrons in a tokamak

Tokuda, Shinji; Higuchi, Takatoshi*; Suzuki, Noriyuki*

Purazuma, Kaku Yugo Gakkai-Shi, 77(12), p.1180 - 1220, 2001/12

https://ci.nii.ac.jp/naid/110003827571

no abstracts in English

Journal Articles

Total energy calculations of RfCl$$_{4}$$ and homologues in the framework of relativistic density functionaltheory

Varga, S.*; Fricke, B.*; Hirata, Masaru; Bastug, T.; Pershina, V.*; Frizsche, S.*

Journal of Chemical Physics, 104(27), p.6495 - 6498, 2000/06

no abstracts in English

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