Fundamental world of quantum chemistry : a tribute to the memory of Per-Olov Löwdin
Per-Olov Löwdin (Honoree), Erkki Brändas (Editor), Eugene S. Kryachko (Editor)
Per-Olov Löwdin's stature has been a symbol of the world of quantum theory during the past five decades, through his basic contributions to the development of the conceptual framework of Quantum Chemistry and introduction of the fundamental concepts; through a staggering number of regular summer schools, winter institutes, innumerable lectures at Uppsala, Gainesville and elsewhere, and Sanibel Symposia; by founding the International Journal of Quantum Chemistry and Advances in Quantum Chemistry; and through his vision of the possible and his optimism for the future, which has inspired generations of physicists, chemists, mathematicians, and biologists to devote their lives to molecular electronic theory and dynamics, solid state, and quantum biology. Fundamental World of Quantum Chemistry: Volumes I, II and III form a collection of papers dedicated to the memory of Per-Olov Löwdin. These volumes are of interest to a broad audience of quantum, theoretical, physical, biological, and computational chemists; atomic, molecular, and condensed matter physicists; biophysicists; mathematicians working in many-body theory; and historians and philosophers of natural science
Print Book, English, 2003-2004
Kluwer Academic Publishers, Dordrecht, 2003-2004
3 v. (xxxii, 677 s. : illustrations ; 25 cm xxxii, 696 s. ; ? s.)
9781402025846, 9781402012907, 9781402012914, 9781402025839, 140202584X, 140201290X, 1402012918, 1402025831
1001623393
Vol. I
The kind and personal influence of Per-Olov Löwdin / J. Karle
P.-O. Löwdin and the quantum mechanics of molecules / R.G. Woolley and B.T. Sutcliffe
Symmetry breaking in the independent particle model / J.L. Stuber and J. Paldus
The Hueckel-Hubbard Hamiltonian and its Gel'fand basis / F.A. Matsen
Different orbitals for different spins, Löwdin's idea / R. Pauncz
The Pauli exclusive principle, spin-staistics connection, and permutation symmetry of many-particle wave functions / I.G. Kaplan
The length and breadth of Löwdin-orthogonalizations / V. Srivastava
Correlation between position and momentum. A phase-space view / J.P. Dahl
Harmonic polynomials, hyperspherical harmonies, and sturmians / J. Avery
Sturmian orbitals in quantum chemistry: an introduction / V. Aquilanti and A. Caligiana
Molecular orbital calculations with numerically optimized orbital bases / J.D. Talman and R. Yan
About overlap and chemical reality / G. Del Re
Quantum mechanics of many-electron systems and the theories of chemical bond / M.A.C. Nascimento and A.G.H. Barbosa
Brillouin-Wigner expansions in quantum chemistry: a robust approach to the quantum many-body problem in molecules / I. Hubac and S. Wilson
Partitioning techniques in coupled-cluster theory / S.R. Gwaltney, G.J.O. Beran and M. Head-Gordon
Density matrix theory
a retrospective / R. McWeeny
Geometric aspects of the theory of density matrices and densities / J.E. Harriman
Density matrix variational theory: strength of Weinhold-Wilson inequalities / M. Nakata, M. Ehara and H. Nakatsuji
Density matrices for electrons with strong interactions / R. Erdahl
Analytical Hartree-Fock wave functions for atoms and ions / A.J. Thakkar and T. Koga
The origin of the molecular atomization energy explained with the HF and HF-CC models / E. Clementi and G. Corongiu
Some exact energy relayionships / P. Politzer
Shell effects in the relaxation energy of 1s-core ionization of atoms from He through Xe / J. Maruani, A.I. Kuleff, Ya, I. Delchev and C. Bonnelle
Second order properties in tensor product space by CI techniques: computation of dispersion constants / G.L. Bendazzoli. Vol. II
Non hermitian quantum mechanics: formalism and applications / E. Narevicius and N. Moiseyev
On the geometric phase effect in Jahn-Teller systems / A.J.C. Varandas
Recent developments and applications of the state-specific approach to excited states and their dynamics / C.A. Nicolaides
Accurate determination of partial rates from multichannel wave function / R. Lefebvre and B. Stern
Green function for elastic scattering from open-shell many-body targets / O.E. Alon and L.S. Cederbaum
Understanding the rates of chemical reactions / J.N. Murrell
Multichannel quantum-classical diffusion equations / M.V. Basilevsky and A.I. Voronin
Field energy density in chemical reaction systems / A. Tachibana
Quantum chemical methods applied to solids / P. Fulde
Superconducting and spin gaps in dx2-y2-wave high Tc cuprates / L.J. Dunne and E.J. Brändas
Quantum theory of disordered chains / J.J. Ladik
Molecular orbital theory of the gaseous Bose-Einstein condensate: natural orbital analysis of strongly correlated ground and excited states of an atomic condensate in a double well / W.P. Reinhardt and H. Perry
Model studies of the electrophilic substitution of methane with various electrophiles E (E = NO2+, F+, Cl3+, HBr2+, HCO+, OH+, H2O-OH+. And Li+) / P.R. Schreiner, A.A. Fokinm, P. von R. Schleyer and H.F. Schaefer III
Application of MRD-CI for computing excited states of radical reactions important for atmospheric chemistry: the electronic spectrum of bromine nitrate BrONO2 in comparison to isovalent CIONO2 and photodissociation of BrONO2 along O-N and Br-O cleavage / M. Mühlhäuser and S.D. Peyerimhoff
Nitrous oxide: electron attachment and possible scenario for its reaction with ns Metal Atoms / O. Tishchenko, E.S. Kryachko and M.T. Nguyen
Heavy element quantum chemistry
the multiconfigurational approach / B. Roos, P.-Å. Malmqvist and L. Cagliardi
Density functional theory performance in metal-containing systems / M.C. Michelini, T. Marino, N. Russo, E. Sicilia and M. Toscano
Revival of parametrized theoretical methods for applied science studies: the example of transition-metal clusters / G. Berthier, M. Defranceschi and C. Le Bris
Quantum chemical calculations of molecular G-tensors of biological radicals / O. Vahtras, M. Engström and H. Ågren
Electron propagator calculations on the ionization energies of nucleic acid bases, base-water complexes and base dimers / O. Dolgounitcheva, V.G. Zakrzewski and J.V. Ortiz
Effects of ionization and cationization on intermolecular proton transfer reactions in DNA base pairs / J. Bertran, M. Noguera and M. Sodupe
The origin of spontaneous point tautometric mutations in DNA: Löwdin's mechanism of proton tunneling in DNA base pairs / E.S. Kryachko
Modern quantum look at the periodic table of elements / V.N. Ostrovsky
Löwdin's remarks on the Aufbau principle and a philosopher's view of ab initio quantum chemistry / E.R. Scerri