S
Shiro Koseki
Researcher at Mie University
Publications - 27
Citations - 19125
Shiro Koseki is an academic researcher from Mie University. The author has contributed to research in topics: Ab initio & Excited state. The author has an hindex of 13, co-authored 25 publications receiving 18145 citations. Previous affiliations of Shiro Koseki include Iowa State University & Yamagata University.
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Journal ArticleDOI
General atomic and molecular electronic structure system
Michael W. Schmidt,Kim K. Baldridge,Jerry A. Boatz,Steven T. Elbert,Mark S. Gordon,Jan H. Jensen,Shiro Koseki,Nikita Matsunaga,Kiet A. Nguyen,Shujun Su,Theresa L. Windus,Michel Dupuis,John A. Montgomery +12 more
TL;DR: A description of the ab initio quantum chemistry package GAMESS, which can be treated with wave functions ranging from the simplest closed‐shell case up to a general MCSCF case, permitting calculations at the necessary level of sophistication.
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Effective Nuclear Charges for the First- through Third-Row Transition Metal Elements in Spin−Orbit Calculations
TL;DR: In this article, the effective nuclear charges (Zeff) were determined for the first-through third-row transition metal elements by using experimental results for the fine structure splittings in atomic terms.
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Relativistic potential energy surfaces of XH2 (X=C, Si, Ge, Sn, and Pb) molecules: Coupling of 1A1 and 3B1 states
TL;DR: In this article, the potential energy surfaces of the 1A1 and 3B1 states for XH2 molecules (X=C, Si, Ge, Sn, Pb) were investigated with ab initio full valence multiconfigurational self-consistent field wave functions, using effective core potentials.
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Spin-Orbit Splittings in the Third-Row Transition Elements: Comparison of Effective Nuclear Charge and Full Breit-Pauli Calculations
TL;DR: In this paper, the spin-orbit splittings of low-lying states in third-row transition elements were calculated using both an effective core potential (ECP) method within the one-electron (Zeff) approximation and all electron (AE) methods using three different approaches.