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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 30, 1975 - Issue 5
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Original Articles

Finite nucleus models for molecular calculations

E.A. Moore Chemistry Department, The University, Southampton, SO9 5NH
&
R.E. Moss Chemistry Department, The University, Southampton, SO9 5NH
Pages 1315-1323 | Received 16 Apr 1975, Published online: 23 Aug 2006

Citations (21)

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Read on this site (6)

N.C. Pyper. (1988) Exact relativistic analogues of the non-relativistic hyperfine structure operators. Molecular Physics 64:5, pages 933-961.
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E.A. Moore. (1980) Relativistic corrections to the hamiltonian for one and two electron atoms. Molecular Physics 39:3, pages 745-756.
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R.E. Moss & H.P. Trivedi. (1979) Approximate solution of the Dirac equation using the partitioning technique. Molecular Physics 38:5, pages 1611-1620.
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H.P. Trivedi. (1979) Second order hyperfine splitting with Blinder type contact operator : Finite nucleus models. Molecular Physics 38:5, pages 1603-1610.
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E.A. Moore & R.E. Moss. (1976) On the reduction of the Dirac equation to non-relativistic form: the dipole-dipole interaction in the hydrogen atom. Molecular Physics 31:5, pages 1599-1605.
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E.A. Moore & R.E. Moss. (1975) On the reduction of the Dirac equation to non-relativistic form: the Fermi contact interaction in the hydrogen atom. Molecular Physics 30:5, pages 1297-1313.
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Articles from other publishers (15)

Dirk Andrae. 2017. Handbook of Relativistic Quantum Chemistry. Handbook of Relativistic Quantum Chemistry 51 81 .
D. Andrae. 2016. Handbook of Relativistic Quantum Chemistry. Handbook of Relativistic Quantum Chemistry 1 31 .
Barbara Sandhoefer, Simone Kossmann & Frank Neese. (2013) Derivation and assessment of relativistic hyperfine-coupling tensors on the basis of orbital-optimized second-order Møller–Plesset perturbation theory and the second-order Douglas–Kroll–Hess transformation. The Journal of Chemical Physics 138:10.
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Elena Malkin, Michal Repiský, Stanislav Komorovský, Pavel Mach, Olga L. Malkina & Vladimir G. Malkin. (2011) Effects of finite size nuclei in relativistic four-component calculations of hyperfine structure. The Journal of Chemical Physics 134:4.
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Elena Malkin, Irina Malkin, Olga L. Malkina, Vladimir G. Malkin & Martin Kaupp. (2006) Scalar relativistic calculations of hyperfine coupling tensors using the Douglas–Kroll–Hess method with a finite-size nucleus model. Phys. Chem. Chem. Phys. 8:35, pages 4079-4085.
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Yasuyuki Ishikawa, Takahito Nakajima, Masahiko Hada & Hiroshi Nakatsuji. (1998) Relativistic theory of the magnetic shielding constant:. Chemical Physics Letters 283:1-2, pages 119-124.
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R E Moss & I A Sadler. (1986) The electric quadrupole moments of one-electron atoms. Journal of Physics B: Atomic and Molecular Physics 19:13, pages L503-L506.
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N.C. Pyper. (1983) The relativistic theory of the chemical shift. Chemical Physics Letters 96:2, pages 204-210.
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J.W. Gonsalves & R.E. Moss. (1979) The hyperfine interaction in the hydrogen atom: the blinder operator. Chemical Physics Letters 67:1, pages 17-20.
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Thorsteinn Hannesson & S. M. Blinder. (2004) Finite nucleus model for the Fermi contact interaction. International Journal of Quantum Chemistry 15:1, pages 7-14.
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S. M. Blinder. (1978) Modified delta-function potential for hyperfine interactions. Physical Review A 18:3, pages 853-861.
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Pekka Pyykkö. 1978. Advances in Quantum Chemistry Volume 11. Advances in Quantum Chemistry Volume 11 353 409 .
. 1978. Theoretical Foundations of Electron Spin Resonance. Theoretical Foundations of Electron Spin Resonance 387 393 .
M.T. Rayez-Meaume & J. Hoarau. (1978) Calculation of the nuclear spin coupling constant by a variational procedure on a finite part of the second-order perturbed energy. Chemical Physics 27:1, pages 73-78.
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J Killingbeck. (1977) Quantum-mechanical perturbation theory. Reports on Progress in Physics 40:9, pages 963-1031.
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