Zobrazeno 1 - 10
of 11
pro vyhledávání: '"Niyazi Yükçü"'
Autor:
Sılay Aytaç Yükçü, Niyazi Yükçü
Publikováno v:
Canadian Journal of Physics. 96:724-726
33rd International Physics Conference of Turkish-Physical-Society (TPS) -- SEP 06-10, 2017 -- Konacik, TURKEY WOS: 000437293500013 Hydrogen-type atomic orbitals (HTOs) are an important type of exponential-type orbital. These orbitals have some mathem
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4fce5c2850433f4961a02c1298d800c6
https://doi.org/10.1139/cjp-2017-0728
https://doi.org/10.1139/cjp-2017-0728
WOS: 000489698800017 In the multi-center molecular integrals, Gaunt coefficients have an important role for numerical calculations. If we want to find correct results from molecular interactions, then we have to calculate accurately their molecular i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::79c21f167f5e6584fec94818c568de13
https://hdl.handle.net/20.500.12712/10483
https://hdl.handle.net/20.500.12712/10483
Publikováno v:
Chemical Physics Letters. 771:138466
This work presents a new method for the analytical evaluation of magnetic multipole moment integrals (MMMIs) using Slater type orbitals (STOs), the Fourier transform method and some translation equations. These integrals are one type of the molecular
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4b11b07cb1d97d33c7f6e05ab4816f29
https://doi.org/10.1016/j.cplett.2021.138466
https://doi.org/10.1016/j.cplett.2021.138466
Autor:
Sılay Aytaç Yükçü, Niyazi Yükçü
Publikováno v:
AIP Conference Proceedings.
32nd International Physics Congress of Turkish-Physical-Society (TPS) -- SEP 06-09, 2016 -- Bodrum, TURKEY WOS: 000435205100025 Overlap integrals which encountered in molecular stnicture calculations are the most basic of molecular integrals. Also, o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a07b2d5c633c46dfbfc73a6cbf1eeefe
https://doi.org/10.1063/1.4976369
https://doi.org/10.1063/1.4976369
Autor:
Niyazi Yükçü
Publikováno v:
AIP Conference Proceedings.
Gaussian type orbitals (GTOs), which are one of the types of exponential type orbitals (ETOs), are used usually as basis functions in the multi-center atomic and molecular integrals to better understand physical and chemical properties of matter. In
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dd861c1a6d8e51f89f584e565c2ddd12
https://doi.org/10.1063/1.4944154
https://doi.org/10.1063/1.4944154
In this paper, for one- and two-center one-electron integrals between irregular solid harmonics (ISHs) and Slater-type orbitals (STOs) with same screening parameters distinct analytical formulas are obtained. First, an expression is derived in terms
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cc12242ac29a5962befe4622be150b61
https://doi.org/10.1016/bs.aiq.2015.06.003
https://doi.org/10.1016/bs.aiq.2015.06.003
Autor:
Niyazi Yükçü, S. A. Kurt
9th International Physics Conference of the Balkan-Physical-Union (BPU) -- AUG 24-27, 2015 -- Istanbul Univ, Beyazit Campus, Istanbul, TURKEY WOS: 000375923300031 Slater Type Orbitals (STOs) which one of the types of exponential type orbitals (ETOs)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b9a3bc71f50a55f43334b5a1bd3f4f9c
https://hdl.handle.net/20.500.12712/13759
https://hdl.handle.net/20.500.12712/13759
Publikováno v:
International Journal of Quantum Chemistry. 112:414-425
Three-center electric multipole moment integrals over Slater-type orbitals (STOs) can be evaluated by translating the orbitals on one center to the other and reducing the system to an expansion of two-center integrals. These are then evaluated using
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ba1877c6289ccaa446b4b08d8b58e054
https://doi.org/10.1002/qua.23033
https://doi.org/10.1002/qua.23033
Publikováno v:
Communications in Theoretical Physics. 43:151-158
Eryilmaz, Serpil/0000-0002-0935-4644 WOS: 000226568300029 In this paper, derivation of analytical expressions for overlap integrals with the same and different screening parameters of Slater type orbitals (STOs) via the Fourier-transform method is pr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d0f2a09d09dec221b197f041741fe3ce
https://doi.org/10.1088/0253-6102/43/1/029
https://doi.org/10.1088/0253-6102/43/1/029
Autor:
E. Öztekin, Niyazi Yükçü
Electric multipole moment integrals with the same screening parameters are calculated using Slater type orbitals (STOs) translation formulae and the Fourier transform method. First, multipole moment operators which appear in the three-center electric
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::039142286afe1466a62e7a30bb683ab6
https://doi.org/10.1016/b978-0-12-411544-6.00009-1
https://doi.org/10.1016/b978-0-12-411544-6.00009-1