Divisin of Computational Methods in Molecular Physics

PAPERS PUBLISHED SINCE 1992

B. G. Wybourne The representation space of the nuclear symplectic Sp(6,R) shell model, J. Phys. A: Math. Gen. 25 (1992) 4389-4398.

B. G. Wybourne The Eight-fold Way of the electronic f-shell J. Phys. B: Atom. Mol. Opt. Phys. 25 (1992) 1683-1696.

B. G. Wybourne and J. Meller Enumeration of the order 14 invariants formed from the Riemann tensor, J. Phys. A: Math. Gen. 25 (1992) 5999-6003.

B. G. Wybourne and M. Yang q-Deformation of symmetric functions and Hecke algebras H_n(q) of type A_n-1, AIP Conference Proceedings 266 (1992) 64-84.

W. Jask\'olski Matching formalism for surface states and surface resonances, Phys. Rev. B 45 (1992) 4398-4402.

C. Lavin, I. Martin and J. Karwowski Relativistic Effects on the Computation of Oscillator Strengths for the Principal Series in Na-like Systems, J. Mol. Structure (Theochem) 254 (1992) 161-170.

J. Planelles and J. Karwowski Some Results for Symmetric-Group-Adapted Reduced Density Operators Theoret. Chim. Acta (Berlin) 82 (1992) 239-248.

J. Karwowski Configuration Interaction, in "Computational Chemistry: Structure, Interactions and Reactivity", Part A, S. Fraga, editor, Elsevier, Amsterdam 1992, pp 197-222.

J. Karwowski The Configuration Interaction Approach to Electron Correlation in "Methods in Computational Molecular Physics", G. H. F. Diercksen and S. Wilson, editors, Plenum, NATO ASI series, 1992, pp 65-98.

M. Bylicki Feshbach-type projection calculations of triply excited resonances in He^-, Phys. Rev. A 45 (1992) 2079-2082.

B. G. Wybourne Symmetric functions and their application to problems in physics in "Symmetry and Structural Properties of Condensed Matter" W. Florek, D. Lipi\'nski and T. Lulek, editors, World Scientific, Singapore, 1993, pp 79-100.

Thomas Scharf, Jean-Yves Thibon and Brian G. Wybourne Reduced notation, inner plethysms and the symmetric group, J. Phys. A: Math. Gen. 26 (1993) 7461-7478.

G. Stedman and B Wybourne E-mail or perish?, Physics World 19-20 (Feb. 1993).

L. Chico, W. Jask\'olski, and F. Garcia-Moliner The Confined Electron Gas in Modulation Doped Quantum Wells, Physica Scripta 47 (1993) 284-288.

L. Chico, W. Jask\'olski, and V.R. Velasco On the electronic structure of externally \delta-doped quantum wells, Czech. J. Phys. 43 (1993) 893-898.

L. Chico, W. Jask\'olski, R. Perez-Alvarez, and F. Garcia-Moliner On the theory of GaAs-based Quantum wells with external \delta-doping, J. Phys. C 5 (1993) 9069-9076.

J. Karwowski Symmetric Groups and Organic Ferromagnets in "Symmetry and Structural Properties of Condensed Matter" W. Florek, D. Lipi\'nski and T. Lulek, editors, World Scientific, Singapore, 1993, pp 191-202.

J. Karwowski, M. Bancewicz, O. Ventura and G. H. F. Diercksen Moments of Energy Level Distributions in Vibrational Spectra J. Phys. A: Math. Gen. 26 (1993) 5581-5593.

F. Rajadell, J. Planelles and J. Karwowski Traces of Powers of the Hamiltonian Operator in Finite-Dimensional Antisymmetric Model Spaces J. Phys. A: Math. Gen. 26 (1993) 3883-3901.

I. Martin, J. Karwowski, G. H. F. Diercksen and C. Barrientos Transition Probabilities in the Lithium Sequence Astronomy and Astrophysics, Suppl. Ser. 100 (1993) 595-605.

C. Lav\'\in, P. Martin, I. Martin and J. Karwowski Relativistic Quantum Defect Orbital Calculations of Singlet--Singlet Transitions in the Zinc and Cadmium Isoelectronic Sequences Intern. J. Quantum Chem. S27 (1993) 385-398.

I. Martin, J. Karwowski, G. H. F. Diercksen and C. Lavin Quantum Defect Orbital Study of Electron Transitions in Rydberg Molecules. I. Triatomic Hydrogen Intern. J. Quantum Chem. S27 (1993) 723-730.

M. Bylicki Doubly excited P^e and D^o resonances in the lithium isoelectronic sequence, Phys. Rev. A 48 (1993) 258-263.

M. Bylicki and C. A. Nicolaides Computation of resonances by two methods involving the use of complex coordinates, Phys. Rev. A 48 (1993) 3589-3593.

M. Janowicz Decay rate, Frequency Shift and Radiation Pattern of a Cherged Harmonic Oscillator in the Cavity Between a Metal and a Dielectric Open Systems and Information Dynamics, 2 (1993) 13-39.

J. Kobus Vectorizable algorithm for the (multicolour) successive overrelaxation method, Computer Phys. Commun. 78 (1993) 247-255.

J. Kobus Finite-difference versus finite-element methods, Chem. Phys. Letters 202 (1993) 7-12.

Thomas Scharf, Jean-Yves Thibon and Brian G. Wybourne Expansion of the Vandermonde determinant and the quantum Hall effect, J. Phys. A: Math. Gen. 27 (1994) 4211-4219.

B. G. Wybourne Applications of S-functions to the quantum Hall effect and quantum dots, Rept. Math. Phys. 34 (1994) 9-16.

B. G. Wybourne Comment on "Wbase: a C package to reduce tensor products of Lie Algebra representations Comp. Phys. Comm. 83 (1994) 332-333.

M. A. Salam and B. G. Wybourne Young raising operators and Q-functions, Austr. J. Comb. 9 (1994) 169-177.

B. G. Wybourne Why so miserable? Physics World 25 (April 1994).

W. Jask\'olski Multiband approach to surface resonances, Vacuum (Pergamon Press) 45 (1994) 183-185.

M. St\ce\'slicka, R. Kucharczyk, L. Dobrzy\'nski, B. Djafari-Rouhani, E.-H. El Boudouti, and W. Jask\'olski Prog. Surf. Sci. 46 (1994) 219-223.

C. Zicovich-Wilson, J. Planelles, and W. Jask\'olski Spatially Confined Simple Quantum Mechanical Systems, Intern. J. Quantum Chem. 50 (1994) 429-444.

M. Grinberg, W. Jask\'olski, Cz. Koepke, J. Planelles, and M. Janowicz Spectroscopic manifestation of a confinement-type lattice anharmonicity, Phys. Rev. B 50 (1994) 6504-6507.

J. Karwowski Statistical Theory of Spectra Intern. J. Quantum Chem. 51 (1994) 425-437.

V. Mas, J. Planelles, J. Karwowski and F. Rajadell Statistical Properties of Spin-Adapted Reduced Hamiltonians Intern. J. Quantum Chem. 51 (1994) 487-497.

D. Bieli\'nska-W\ca\.z, I. Martin and J. Karwowski Core Polarisation Effects in the Relativistic Quantum Defect Orbital Theory Acta Phys. Polon. A 85 (1994) 805-812.

M. Bylicki, S. I. Themelis, and C. A. Nicolaides State-specific theory and computation of a polyelectronic atomic state in a magnetic field. Application to doubly excited states of H^-, J. Phys. B: Atom. Mol. Opt. Phys. 27 (1994) 2741-2751.

M. Janowicz and W. \.Zakowicz Quantum Radiation of a Harmonic Oscillator Near the Planar Dielectric-Vacuum Interphase Phys. Rev. A 50 (1994) 4350-4366.

J. Kobus, D. Moncrieff and S. Wilson A comparison of finite basis set and finite difference methods for the ground state of the CS molecule, J. Phys. B: Atom. Mol. Opt. Phys. 27 (1994) 2867-2875.

J. Kobus, D. Moncrieff and S. Wilson A comparison of finite difference and finite basis set Hartree-Fock calculations for the ground state potential energy curve of CO, J. Phys. B: Atom. Mol. Opt. Phys. 27 (1994) 5139-5146.

B. G. Wybourne Exceptional Lie groups in physics, Lithuanian J. Phys. 35 (1995) 123-131.

B. G. Wybourne Symmetry selection rules and Hyperfine structure, in "Symmetry and Structural Properties of Condensed Matter" T. Lulek, W. Florek and S. Wa\lcerz, editors, World Scientific, Singapore, 1995, pp 56-66.

K. Grudzinski and B. G. Wybourne Computing Properties of the Non-Compact Groups Mp(2n) and Sp(2n,R) using SCHUR in "Symmetry and Structural Properties of Condensed Matter" T. Lulek, W. Florek and S. Wa\lcerz, editors, World Scientific, Singapore, 1995, pp 469-483.

B. G. Wybourne Athletic nonsense Nature 373 (1995) 278.

M. Yang and B. G. Wybourne Squares of S-Functions of special shapes October 1995. Contribution VIII, 25 pages.

C. Zicovich-Wilson, W. Jask\'olski, and J. Planelles Atoms and molecules in cavities: a method for study of spatial confinement effects, Intern. J. Quantum Chem. 54 (1995) 61-72.

D. Moncrieff, J. Kobus and S. Wilson A universal basis set for high precision electronic structure studies, J. Phys. B: Atom. Mol. Opt. Phys. 28 (1995) 4555-57.

M. Bylicki and C. A. Nicolaides Energies and widths of triply excited n=2 intrashell autoionizing states of He^-, Phys. Rev. A 51 (1995) 204-210.

M. Grinberg, W. Jask\'olski, Cz. Koepke, J. Planelles, and M. Janowicz Manifestation of a confinement-type anharmonicity in emission spectra of Niobate glass, Radiation Effects and Defects in Solids, 136 (1995) 141-144.

J. Karwowski, D. Bieli\'nska-W\ca\.z and J. Jurkowski Statistical Properties of Spectra of Finite Systems in "Symmetry and Structural Properties of Condensed Matter" T. Lulek, W. Florek and S. Wa\lcerz, editors, World Scientific, Singapore, 1995, pp 67-76.

J. Jurkowski and J. Karwowski An Application of Murnaghan-Nakayama Rule in Statistical Spectroscopy of the Heisenberg Hamiltonian Lihuanian Journal of Physics 35 (1995) 171-175.

D. Bieli\'nska-W\ca\.z and J. Karwowski Statistical Theory of Vibronic Spectra. Envelopes of the Electronic Bands Phys. Rev. A 52 (1995) 1067-1071.

F. Rajadell, J. Planelles, J. Karwowski and V. Mas Spectral Density Distribution of an N-electron Hamiltonian in a Finite-Dimensional and Spin-Adapted Model Space Int. J. Quantum Chem. 56 (1995) 71-79.

J. Karwowski Model Spaces in Theory of Many-Electron Systems Proceedings of the Ninth International School of Condensed Matter Physics, Bia\lowie\.za, July 16-25, 1995. Institute of Physics, Warsaw University Branch, Bia\lystok, October 1995. Contribution X, 48 pages.

J. Kobus, D. Moncrieff and S. Wilson A comparison of finite basis set and finite difference Hartree-Fock calculations for the BF, AlF and GaF molecules, Mol. Phys. 86 (1995) 1315-30.

J. Karwowski, D. Bieli\'nska-W\ca\.z and J. Jurkowski Eigenvalues of Model Hamiltonian Matrices from Spectral Density Distribution Moments. The Heisenberg Spin Hamiltonian. Int. J. Quantum Chem. xx (1996) xx.

J. Planelles, F. Rajadell, J. Karwowski and V. Mas A Diagrammatic Approach to Statistical Spectroscopy of Many-Fermion Hamiltonians Physics Reports xx (1996) xx.

J. Karwowski, F. Rajadell, J. Planelles and V. Mas The First Four Moments of the Spectral Density Distribution of an N-electron Hamiltonian Matrix Defined in an Antisymmetric and Spin-Adapted Model Space At. Data Nucl. Data Tables xx (1996) xx.

I. Martin, C. Lavin, M. O. Martin, A. M. Velasco, J. Karwowski and G. H. F. Diercksen Quantum Defect Orbital Study of Electronic Transitions in Rydberg Molecules. Fluoronium and Amonium Radicals Chemical Physics xx (1996) xx.

N. Flocke, M. Barysz, J. Karwowski and G. H. F. Diercksen Symmetric Group Approach to Relativistic CI: I. General Formalism. Int. J. Quantum Chem. xx (1996) xx.

N. Flocke, M. Barysz, J. Karwowski and G. H. F. Diercksen Symmetric Group Approach to Relativistic CI: II. Reduction of Matrices in the Spin Space. Int. J. Quantum Chem. xx (1996) xx.

N. Flocke, M. Barysz, J. Karwowski and G. H. F. Diercksen Symmetric Group Approach to Relativistic CI: III. Matrix Elements for Spin-Dependent Operators. Int. J. Quantum Chem. xx (1996) xx.

W. Jask\'olski Confined many-electron systems, Physisc Reports, xx (1996) xx.

J. Planelles, C. Zicovich-Wilson, W. Jask\'olski and A. Corma Semiempirical Hamiltonians for Spacially Confined \pi-electron Systems. Int. J. Quantum Chem. xx (1996) xx.

F. Rajadell, J. Planelles, W. Jask\'olski and C. Zicovich-Wilson Selection of Basis Sets for Atoms and Molecules in Cavities. Int. J. Quantum Chem. xx (1996) xx.