Zobrazeno 1 - 10
of 13
pro vyhledávání: '"J. D. Talman"'
Publikováno v:
Journal of mathematical chemistry
An alternative exchange energy density (eed) in DFT is first proposed, depending on the optimized exchange force (OEF). It is evaluated using a numerical form of OEF for the non-relativistic Ne-like atomic ion series for atomic number Z = 92. Compari
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f7e00be33b07531eac653297d8231f6b
https://doi.org/10.1007/s10910-010-9741-z
https://doi.org/10.1007/s10910-010-9741-z
Publikováno v:
International Journal of Quantum Chemistry. 16:67-76
A number of atomic properties are compared in various independent-particle models for atoms. The models studied are the Hartree-Fock method, a variationally optimized potential model, a parametrized analytic form of the same model, parametrized analy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2aebb60a3676b2c7518972543af5b9b0
https://doi.org/10.1002/qua.560160808
https://doi.org/10.1002/qua.560160808
Publikováno v:
Physical Review B. 55:2079-2088
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f6e00606af7444d27cf32609de901c7c
https://doi.org/10.1103/physrevb.55.2079
https://doi.org/10.1103/physrevb.55.2079
In an earlier study, the exchange energy density ∈ x (r) has been calculated analytically for Ne-like atomic ions in the nonrelativistic limit of large atomic number Z. Here, though now by numerical methods based on the optimized exchange potential
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::37a002ae7187d2a854c9b0a712909046
https://doi.org/10.1142/9789814271783_0084
https://doi.org/10.1142/9789814271783_0084
Publikováno v:
Physical review : A : atomic, molecular and optical physics
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::038602d78a98f7d93d9f7d85f809e94f
https://doi.org/10.1103/physreva.77.032503
https://doi.org/10.1103/physreva.77.032503
Autor:
V Radojevic, J D Talman
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 23:2241-2246
Photoionisation parameters in the energy region of the several lowest autoionising resonances between the 2P3/2 and 2P1/2 ion thresholds in neon are calculated using the relativistic random-phase approximation (RRPA) together with the relativistic mu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::482f2c36fe14a8a36a777fef62af4e80
https://doi.org/10.1088/0953-4075/23/14/013
https://doi.org/10.1088/0953-4075/23/14/013
Publikováno v:
Physical review : A : atomic, molecular and optical physics
In an earlier study, the exchange energy density epsilon(x)(r) has been calculated analytically for Ne-like atomic ions in the nonrelativistic limit of large atomic number Z. Here, though now by numerical methods based on the optimized exchange poten
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e888352d09cf6441cf1119869508e99e
https://hdl.handle.net/10067/1032740151162165141
https://hdl.handle.net/10067/1032740151162165141
Autor:
J. D. Talman, A. Kolakowska
Publikováno v:
Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics. 53(4)
A method is described for computing the first and second derivatives with respect to the nonlinear parameters of the energy expectation value in atomic and molecular calculations involving Slater-type or Gauss-type orbitals. The approach is illustrat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7abdf89b39e189e50b47b38f155e03d5
https://pubmed.ncbi.nlm.nih.gov/9964747
https://pubmed.ncbi.nlm.nih.gov/9964747
Publikováno v:
Physical Review A. 22:336-342
For the purposes of astrophysical, aeronomical, and laboratory application, a precise independent-particle model for electrons in negative atomic ions of the second and third period is discussed. The optimum-potential model (OPM) of Talman et al. (19
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::056fdb46445a15b4a0ef9ea770e8af4a
https://doi.org/10.1103/physreva.22.336
https://doi.org/10.1103/physreva.22.336
Publikováno v:
Physical Review A. 24:669-672
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8a10339dad84a50e9022076ddae65247
https://doi.org/10.1103/physreva.24.669
https://doi.org/10.1103/physreva.24.669