• Issue

    International Journal of Quantum Chemistry: Volume 69, Issue 6

    693-759
    1998
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Theoretical and Computational Developments

Relation between BCS Hamiltonian and Ginzburg–Landau equation

Shigeyuki Aono, 
  • Pages: 693-703
  • First Published: 07 December 1998

Harmonic IR spectra from empirical force fields and ab initio dipole-moment derivatives

Didier Mathieu,  Philippe Simonetti, 
  • Pages: 705-711
  • First Published: 07 December 1998

Dyson-corrected orbital energies for the perturbative treatment of electron correlation

Péter R. Surján,  Ágnes Szabados, 
  • Pages: 713-719
  • First Published: 07 December 1998

Properties, Dynamics, and Electronic Structure of Atoms and Molecules

1/Z expansion, correlation energy, and Shannon entropy of heavy atoms in nonrelativistic limit

A. Grassi,  G. M. Lombardo,  N. H. March,  R. Pucci, 
  • Pages: 721-726
  • First Published: 07 December 1998

New aspects in the theory of π electron systems on the basis of quantum statistical considerations

Michael C. Böhm,  Johannes Schütt,  Sabine Philipp, 
  • Pages: 727-752
  • First Published: 07 December 1998

Molecular Structure, Dynamics, and Function of Biological Systems

Irreversible inhibition of the HIV-1 protease: A theoretical study

Janez Mavri, 
  • Pages: 753-759
  • First Published: 07 December 1998