Zobrazeno 1 - 10
of 105
pro vyhledávání: '"Herbert W. Jones"'
Autor:
Avery, John1 (AUTHOR)
Publikováno v:
International Journal of Quantum Chemistry. 2004, Vol. 100 Issue 2, p121-130. 10p.
Autor:
Shavitt, Isaiah1 (AUTHOR) ishavitt@uiuc.edu
Publikováno v:
International Journal of Quantum Chemistry. 2004, Vol. 100 Issue 2, p105-108. 4p.
Autor:
Philip, Hoggan
Publikováno v:
International Journal of Quantum Chemistry
International Journal of Quantum Chemistry, 2004, 100, pp.67-68
International Journal of Quantum Chemistry, Wiley, 2004, 100, pp.67-68
International Journal of Quantum Chemistry, 2004, 100, pp.67-68
International Journal of Quantum Chemistry, Wiley, 2004, 100, pp.67-68
Editor of volume 100 with C. Weatherford.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::51d07d7dd8862ea15289d96f54f14f20
https://hal.science/hal-00095377
https://hal.science/hal-00095377
Akademický článek
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Autor:
Yves G. Smeyers
Publikováno v:
International Journal of Quantum Chemistry. 26:293-293
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0bc0bd8c472d79478ccb98bfcdf86491
https://doi.org/10.1002/qua.560260212
https://doi.org/10.1002/qua.560260212
Autor:
Herbert W. Jones
Publikováno v:
International Journal of Quantum Chemistry. 28:157-163
Formulas for two-center exchange integrals using Slater-type orbitals with equal screening constants are produced by employing computer algebra in the implementation of the Lowdin alpha function method which expands displaced orbitals in an infinite
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0580d8763bc02238bc44e0a6f14e8c7d
https://doi.org/10.1002/qua.560280815
https://doi.org/10.1002/qua.560280815
Publikováno v:
International Journal of Quantum Chemistry. 14:483-488
A derivation of Sharma's expansion in spherical harmonics of a Slater-type orbital about a displaced origin is carried out in a more transparent manner with the assistance of a computer. The resulting Lowdin alpha function for the radial dependence i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fcfa5bed9b6833c87783fc52847c5d1a
https://doi.org/10.1002/qua.560140842
https://doi.org/10.1002/qua.560140842
Autor:
Segmen, Fatih1 (AUTHOR) drsegmen@gmail.com, Aydemir, Semih2 (AUTHOR) drsemihaydemir@gmail.com, Küçük, Onur3 (AUTHOR) dr.okucuk@gmail.com, Doğu, Cihangir4 (AUTHOR) cihangirdogu@gmail.com, Dokuyucu, Recep5 (AUTHOR) drecepfatih@gmail.com
Publikováno v:
Journal of Clinical Medicine. Nov2024, Vol. 13 Issue 22, p6979. 9p.
Publikováno v:
International Journal of Quantum Chemistry. 100:199-205
The strategy of using expansions in spherical harmonics of displaced Slater-type (exp(−αx)) orbitals to evaluate multicenter molecular integrals is applied to three-centered nuclear attraction integrals (potential due to the product of separated S
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::613da8fabdbc43b54ed0e2bcc0da752b
https://doi.org/10.1002/qua.20089
https://doi.org/10.1002/qua.20089
Autor:
Herbert W. Jones, J. L. Jain
Publikováno v:
International Journal of Quantum Chemistry. 80:842-847
It would seem that limiting computer computations to numbers with a fixed number of decimal digits would inhibit flexibility. Software programs such as Mathematica permit numerical algebra to be done exactly in terms of the ratio of integers. Hence,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::759c9944f2a35058c50bc18fa2d04789
https://doi.org/10.1002/1097-461x(2000)80:4/5<842::aid-qua33>3.0.co
https://doi.org/10.1002/1097-461x(2000)80:4/5<842::aid-qua33>3.0.co