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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 33, 1977 - Issue 1
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Original Articles

Dirac-Slater model calculations of ionization energies for caesium halide molecules

Hirohiko Adachi Department of Nuclear Engineering, Osaka University, Suita, Japan
,
Arne Rosén Department of Physics, Chalmers University of Technology, Göteborg, Sweden
&
Don E. Ellis Department of Physics and Chemistry, Northwestern University, Evanston, Illinois, 60201, U.S.A.
Pages 199-205 | Received 14 Sep 1976, Published online: 22 Aug 2006

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Hiroshi Kobayashi, Keiko Okada, Youkoh Kaizu, Noriaki Hamada & Hirohiko Adachi. (1987) The 5d ← 4f excited states of [Ce(OH2)9]3+ . Molecular Physics 60:3, pages 561-572.
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J.G. Snijders, E.J. Baerends & P. Ros. (1979) A perturbation theory approach to relativistic calculations. Molecular Physics 38:6, pages 1909-1929.
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J.G. Snijders & E.J. Baerends. (1978) A perturbation theory approach to relativistic calculations. Molecular Physics 36:6, pages 1789-1804.
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Articles from other publishers (29)

M. Kurihara, J. Onoe, M. Hirata & C. Suzuki. (2011) Relativistic density-functional study of the solid solubility of transition metal/γ-uranium alloys: The role of d–d orbital interactions. Journal of Alloys and Compounds 509:4, pages 1152-1156.
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Masayoshi Kurihara, Masaru Hirata, Jun Onoe & Hirohide Nakamatsu. (2008) Application of the relativistic DV-Xα molecular orbital method to γ-uranium alloys with transition metals. Progress in Nuclear Energy 50:2-6, pages 549-555.
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Yangdong Zheng, Hiroshi Mizuta, Yoshishige Tsuchiya, Masato Endo, Daisuke Sato & Shunri Oda. (2005) In situ real-time spectroscopic ellipsometry study of HfO2 thin films grown by using the pulsed-source metal-organic chemical-vapor deposition . Journal of Applied Physics 97:2.
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Masayoshi Kurihara, Masaru Hirata, Rika Sekine, Jun Onoe & Hirohide Nakamatsu. (2004) Theoretical study on the alloying behavior of γ-uranium metal: γ-uranium alloy with 3d transition metals. Journal of Nuclear Materials 326:2-3, pages 75-79.
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Jun Onoe. 2000. 311 323 .
Hirohiko Adachi. 2000. 1 29 .
Zs. Kovács, L. Kövér & H. Adachi. 1998. 421 431 .
Jun Onoe. (1997) Relativistic Effects on Covalent Bonding: Role of Individual Valence Atomic Orbitals. Journal of the Physical Society of Japan 66:8, pages 2328-2336.
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J. Onoe, H. Nakamatsu, T. Mukoyama, R. Sekine, H. Adachi & K. Takeuchi. (1997) Structure and Bond Nature of the UF 5 Monomer . Inorganic Chemistry 36:9, pages 1934-1938.
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Zs. Kov?cs, L. K?v?r, P. Weightman, D. Varga, R. Sanjin?s, J. P?link?s, G. Margaritondo & H. Adachi. (1996) Electronic structure of Ni and alloys . Physical Review B 54:12, pages 8501-8505.
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Jun Onoe, Hirohide Nakamatsu, Takeshi Mukoyama, Rika Sekine, Hirohiko Adachi & Kazuo Takeuchi. (1996) Relativistic Change in Bond Overlap Population for the Study of Relativistic Effects on Bond Length of Diatomic Molecules. Journal of the Physical Society of Japan 65:8, pages 2459-2462.
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Hirohide Nakamatsu, Takeshi Mukoyama & Hirohiko Adachi. (1995) Ionic and covalent bonds in CeO2 crystal. Chemical Physics Letters 247:1-2, pages 168-172.
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Jun Onoe, Hirohide Nakamatsu, Rika Sekine, Takeshi Mykoyama, Hirohiko Adachi & Kazuo Takeuchi. (1994) Theoretical study of the valence photoelectron spectrum of UF6. Journal of Electron Spectroscopy and Related Phenomena 70:2, pages 89-93.
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Jun Onoe, Hirohide Nakamatsu, Rika Sekine, Takeshi Mukoyama, Hirohiko Adachi & Kazuo Takeuchi. (1994) Note on the Contribution of Relativity to Cu 2 Bonding . Journal of the Physical Society of Japan 63:11, pages 3992-3995.
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Jun Onoe, Rika Sekine, Kazuo Takeuchi, Hirohide Nakamatsu, Takeshi Mukoyama & Hirohiko Adachi. (1994) Atomic-number dependence of relativistic effects on chemical bonding using the non-relativistic and relativistic discrete-variational Xα methods. Chemical Physics Letters 217:1-2, pages 61-64.
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P. K. Khowash & D. E. Ellis. (1987) Nature of defect structure in CoO. Physical Review B 36:6, pages 3394-3399.
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K. Balasubramanian & Kenneth S. Pitzer. 1987. Advances in Chemical Physics. Advances in Chemical Physics 287 319 .
A W Potts & I Novak. (1984) Angle-resolved photoelectron spectroscopy (He I   ) of alkali iodides . Journal of Physics B: Atomic and Molecular Physics 17:14, pages L481-L484.
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A. Aguilar-Ancono, J.L. Gázquez & J. Keller. (1983) Approximate Relativistic calculations within the one-center approximation for the series CH4 TO PbH4. Chemical Physics Letters 96:2, pages 200-203.
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Hirohide Nakamatsu, Hirohiko Adachi & Shigero Ikeda. (1981) Electronic structure of the valence band for perovskite-type titanium double oxides studied by XPS and DV-Xα cluster calculations. Journal of Electron Spectroscopy and Related Phenomena 24:2, pages 149-159.
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Tzu-Min R. Su & Stephen J. Riley. (1980) Alkali halide photofragment spectra. II. Alkali bromide bond energies and excited state symmetries at 266 nm. The Journal of Chemical Physics 72:3, pages 1614-1622.
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I.P. Grant. (1979) Relativistic atomic structure calculations. Computer Physics Communications 17:1-2, pages 149-161.
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J. Berkowitz. 1979. Alkali Halide Vapors. Alkali Halide Vapors 155 188 .
Hirohiko Adachi. (1979) Calculations of ionization and excitation energies for SiH3 X (X = F, Cl, Br and I) using the discrete variational Xα method. Journal of Electron Spectroscopy and Related Phenomena 16:3, pages 277-284.
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Hirohiko Adachi, Shoji Shiokawa & Shosuke Imoto. (1978) Discrete Variational Xα Calculations of UAl 4 , NpAl 4 and PuAl 4 Clusters . Journal of the Physical Society of Japan 45:4, pages 1423-1424.
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Hirohiko Adachi, Masaru Tsukada & Chikatoshi Satoko. (1978) Discrete Variational Xα Cluster Calculations. I. Application to Metal Clusters. Journal of the Physical Society of Japan 45:3, pages 875-883.
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Arne Rosén. (2004) Relativistic symmetry orbitals for the double groups C 2 v , C ∞ v , D ∞ h , and O h . International Journal of Quantum Chemistry 13:4, pages 509-528.
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Pekka Pyykkö. 1978. Advances in Quantum Chemistry Volume 11. Advances in Quantum Chemistry Volume 11 353 409 .
D. E. Ellis. (2009) Moment-polarized relativistic potentials. International Journal of Quantum Chemistry 12:S11, pages 201-205.
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