Recent progress in relativistic electronic structure theory

DOI10.1142/9789812794901_0007MaRDI QIDQ4643572zbMATH OpenOpenAlexFDO

Authors Takeshi Yanai, T. Nakajima, Yasuyuki Ishikawa, Kimihiko Hirao

Publication date 24 May 2018

Published in Recent Advances in Relativistic Molecular Theory (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1142/9789812794901_0007

Mathematics Subject Classification ID

Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10) Molecular physics (81V55) Covariant wave equations in quantum theory, relativistic quantum mechanics (81R20)

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(17)

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• REL4D
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• General relations between radial integrals in nonrelativistic and relativistic calculation schemes
• A flexible correlation group table (CGT) method for the relativistic configuration interaction wavefunctions
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• The relativistic energy-consistent ab initio pseudopotential approach and its application to lanthanide and actinide compounds
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