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DIRAC24

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 13 Dec 2018Publisher:Zenodo

Authors: Saue, Trond; Visscher, Lucas; Jensen, Hans Jørgen Aagaard; Bast, Radovan; Severo Pereira Gomes, Andre; Aucar, Ignacio Agustín; Bakken, Vebjoern; +58 Authors

DIRAC24

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Abstract

DIRAC: Program for Atomic and Molecular Direct Iterative Relativistic All-electron Calculations. Project website: http://diracprogram.org The DIRAC program computes molecular properties using relativistic quantum chemical methods. It is named after P.A.M. Dirac, the father of relativistic electronic structure theory.

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Dataset: Relativistic EOM-CCSD for core-excited and core-ionized state energiesbased on the 4-component Dirac-Coulomb(-Gaunt) Hamiltonian
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Dataset: Relativistic EOM-CCSD for core-excited and core-ionized state energiesbased on the 4-component Dirac-Coulomb(-Gaunt) Hamiltonian
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Impact byBIP!

	citations This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	68
	popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.	Top 1%
	influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	Top 10%
	impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.	Top 10%