Parallelization of four-component calculations. I. Integral generation, SCF and four-index transformation in the Dirac-Fock package MOLFDIR

M. Pernpointner; L. Visscher; W.A. de Jong; R. Broer

doi:10.1002/1096-987X(200010)21:13<1176::AID-JCC6>3.0.CO;2-E

Parallelization of four-component calculations. I. Integral generation, SCF and four-index transformation in the Dirac-Fock package MOLFDIR

M. Pernpointner, L. Visscher, W.A. de Jong, R. Broer

Theoretical Chemistry

Research output: Contribution to Journal › Article › Academic › peer-review

Original language	English
Pages (from-to)	1176-1186
Number of pages	10
Journal	Journal of Computational Chemistry
Volume	21
Issue number	13
DOIs	https://doi.org/10.1002/1096-987X(200010)21:13<1176::AID-JCC6>3.0.CO;2-E
Publication status	Published - 2000

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10.1002/1096-987X(200010)21:13<1176::AID-JCC6>3.0.CO;2-E

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@article{3a5eac55bd6e46c89dfe9043309be761,

title = "Parallelization of four-component calculations. I. Integral generation, SCF and four-index transformation in the Dirac-Fock package MOLFDIR",

author = "M. Pernpointner and L. Visscher and {de Jong}, W.A. and R. Broer",

year = "2000",

doi = "10.1002/1096-987X(200010)21:13<1176::AID-JCC6>3.0.CO;2-E",

language = "English",

volume = "21",

pages = "1176--1186",

journal = "Journal of Computational Chemistry",

issn = "0192-8651",

publisher = "John Wiley and Sons Inc.",

number = "13",

}

TY - JOUR

T1 - Parallelization of four-component calculations. I. Integral generation, SCF and four-index transformation in the Dirac-Fock package MOLFDIR

AU - Pernpointner, M.

AU - Visscher, L.

AU - de Jong, W.A.

AU - Broer, R.

PY - 2000

Y1 - 2000

U2 - 10.1002/1096-987X(200010)21:13<1176::AID-JCC6>3.0.CO;2-E

DO - 10.1002/1096-987X(200010)21:13<1176::AID-JCC6>3.0.CO;2-E

M3 - Article

SN - 0192-8651

VL - 21

SP - 1176

EP - 1186

JO - Journal of Computational Chemistry

JF - Journal of Computational Chemistry

IS - 13

ER -