sturmian.bib

@ARTICLE{averyavery03:bachelor,
  AUTHOR = {James Avery and John Avery},
  TITLE = {The Generalized Sturmian Method for Calculating Spectra of Atoms and Ions},
  JOURNAL = {Journal of Mathematical Chemistry},
  PUBLISHER = {Springer},
  YEAR = 2003,
  VOLUME = 33,
  PAGES = {145-162},
  NOTE = {\url{http://dx.doi.org/10.1023/A:1023204016217}},
  ABSTRACT = { The properties of generalized Sturmian basis sets are
reviewed, and functions of this type are used to perform direct
configuration interaction calculations on the spectra of atoms and
ions. Singlet excited states calculated in this way show good
agreement with experimentally measured spectra. When the generalized
Sturmian method is applied to atoms, the configurations are
constructed from hydrogenlike atomic orbitals with an effective charge
which is characteristic of the configuration. Thus, orthonormality
between the orbitals of different configurations cannot be assumed,
and the generalized Slater\u2013Condon rules must be used. This aspect
of the problem is discussed in detail. Finally spectra are calculated
in the presence of a strong external electric field. In addition to
the expected Stark effect, the calculated spectra exhibit anomalous
states. These are shown to be states where one of the electrons is
primarily outside the atom or ion, with only a small amplitude inside.}
}

@ARTICLE{averyavery03:kramer,
  AUTHOR = {John Avery and James Avery},
  TITLE = {Kramers Pairs in Configuration Interaction},
  JOURNAL = {Advances in Quantum Chemistry},
  YEAR = 2003,
  VOLUME = 43,
  PAGES = {185-206},
  ABSTRACT = {
The theory of symmetry-preserving Kramers pair creation operators is
reviewed and formulas for applying these operators to configuration
interaction calculations are derived. A new and more general type
of symmetry-preserving pair creation operator is proposed and shown
to commute with the total spin operator and with all of the
symmetry operations which leave the core Hamiltonian of a many-electron
system invariant. The theory is extended to cases where orthonormality
of orbitals of different configurations cannot be assumed.
  }
}

@ARTICLE{averyavery03:natural,
  AUTHOR = {John Avery and James Avery and Osvaldo Goscinski},
  TITLE = {Natural Orbitals from Generalized Sturmian Calculations},
  JOURNAL = {Advances in Quantum Chemistry},
  YEAR = 2003,
  VOLUME = 43,
  PAGES = {206-216},
  ABSTRACT = {The generalized Sturmian method is a direct configuration interaction method
for solving the Schr\"odinger equation of a many-electron system. 
The configurations in the basis set
are solutions to an approximate Schr\"odinger equation
with a weighted potential $\beta_\nu V_0({\bf x})$, the weighting factors $\beta_\nu$
being chosen in such a way as to make the set of solutions isoenergetic. 
The method is illustrated by calculation of atomic excited states and used to generate
natural orbitals. 
 }
}

@ARTICLE{averyavery04:polarizability,
  AUTHOR = {John Avery and James Avery and Vincenzo Aquilanti and Andrea Caligiana},
  TITLE = {Atomic Densities, Polarizabilities, and Natural Orbitals
                  Derived from Generalized Sturmian Calculations},
  JOURNAL = {Advances in Quantum Chemistry},
  YEAR = 2004,
  VOLUME = 47,
  PAGES = {192-214},
  ABSTRACT = { The generalized Sturmian method for atomic and
molecular electronic structure calculations is a direct configuration
interaction method in which the configurations are chosen to be
isoenergetic solutions of an approximate $N$-electron Schr\"odinger
equation with a weighted potential, $\beta_\nu V_0$. The weighting
factors $\beta_\nu$ are especially chosen so that all the
configurations in the basis set correspond to the same energy
regardless of their quantum numbers. In this paper, the generalized
Sturmian method is used to calculate excited states, densities,
polarizabilities, and natural orbitals of few-electron atoms and ions.
 }
}

@ARTICLE{averyavery04:gertmemorial,
  AUTHOR = {John Avery and James Avery},
  TITLE = {Generalized Sturmian Solutions for Many-Particle Schr\"odinger Equations},
  JOURNAL = {Journal of Physical Chemistry},
  YEAR = 2004,
  VOLUME = 108,
  PAGES = {8848-8851},
  NOTE = {(Part of the Gert D. Billing Memorial Issue)}
}

@ARTICLE{averyavery05:autoionizing-states,
  AUTHOR = {James Avery and John Avery},
  TITLE = {Autoionizing States of Atoms Calculated Using Generalized Sturmians},
  JOURNAL = {Advances in Quantum Chemisty},
  YEAR = 2005,
  VOLUME = 49,
  PAGES = {103-118},
  ABSTRACT = { The generalized Sturmian method is applied to
   autoionizing states of atoms and ions. If the Goscinskian basis
   sets allow for a sufficient amount of angular correletion, the
   calculated energies of doubly-excited (autoionizing) states are
   found to agree well with the few available experimental energies. A
   large-$Z$ approximation is discussed, and simple formulas are
   derived which are valid not only for autoionizing states, but for
   all states of an isoelectronic atomic series. Diagonalization of a
   small block of the interelectron repulsion matrix yields roots that
   can be used for a wide range of $Z$ values.
  }
}

@INBOOK{relativity-chapter,
  AUTHOR = {John Avery and James Avery},
  TITLE = {Generalized Sturmians and Atomic Spectra},
  CHAPTER = {4. Relativistic Effects},
  PUBLISHER = {World Scientific},
  YEAR = 2006,
  MONTH = {July},
  NOTE = {Work in progress}
}

@TECHREPORT{avery02:bachelor,
  AUTHOR = {James Avery},
  TITLE = {Beregning af Spektre for Atomer og Ioner ved Brug af Mangepartikel Sturm-Baser},
  INSTITUTION = {Datalogisk Institut, KÝbenhavns Universitet},
  YEAR = 2002,
  TYPE = {Bachelor's project}
}

@BOOK{greenbook,
  AUTHOR = {John Avery},
  TITLE = {Hyperspherical Harmonics and Generalized Sturmians},
  PUBLISHER = {Kluwer Academic Publishers},
  YEAR = 2000,
  ADDRESS = {Dordrecht, Netherlands}
}

@ARTICLE{goscinski:conjugated-eigenproblem,
  AUTHOR = {Osvaldo Goscinski},
  TITLE = {Preliminary Research Report No. 217},
  JOURNAL = {Advances in Quantum Chemistry},
  YEAR = 2003,
  VOLUME = 41,
  PAGES = {51-85},
  NOTE = {Originally unpublished research report, Quantum Chemistry Group, Uppsala University, 1968}
}

@MISC{nist:atomic-database,
  AUTHOR = {National Institution of Standards and Technology},
  TITLE = {Atomic Spectra Database v.2.0},
  HOWPUBLISHED = {http://physics.nist.gov/asd}
}

@MISC{sturmian.kvante.org,
  AUTHOR = {James Avery},
  TITLE = {sturmian: The Generalized Sturmian library},
  HOWPUBLISHED = {http://sturmian.kvante.org},
  YEAR = 2005
}

@ARTICLE{avery03:shibuya-wulfman,
  AUTHOR = {John Avery},
  TITLE = {Many-center Coulomb Sturmians and Shibuya-Wulfman integrals},
  JOURNAL = {International Journal of Quantum Chemistry},
  YEAR = 2003,
  VOLUME = 100,
  NUMBER = 2,
  PAGES = {121-130}
}

@ARTICLE{avery00:inelastic-scattering,
  AUTHOR = {John Avery},
  TITLE = {The generalized Sturmian method and inelastic scattering of fast electrons},
  JOURNAL = {Journal of Mathematical Chemistry},
  YEAR = 2000,
  VOLUME = 27,
  NUMBER = 4,
  PAGES = {279-292},
  MONTH = {December},
  NOTE = {ISSN: 0259-9791 (Paper) 1572-8897 (Online)}
}

@ARTICLE{avery01:molecules-part1,
  AUTHOR = {John Avery and Rune Shim},
  TITLE = {Molecular Sturmians, Part 1},
  JOURNAL = {International Journal of Quantum Chemistry},
  YEAR = 2001,
  VOLUME = 83,
  PAGES = {1-10}
}

@ARTICLE{avery01:external-fields,
  AUTHOR = {John Avery and  Cecilia Coletti},
  TITLE = {Many-electron Sturmians applied to atom and ions in strong external fields},
  JOURNAL = {New Trends in Quantum Systems in Chemistry and Physics},
  YEAR = 2001,
  VOLUME = 1,
  PAGES = {77-93},
  NOTE = {Maruani et al. Eds. (Kluwer Academic Publishers)}
}

@ARTICLE{avery00:external-fields,
  AUTHOR = {John Avery and  Cecilia Coletti},
  TITLE = {Generalized Sturmians Applied to atoms in strong external fields},
  JOURNAL = {Journal of Mathematical Chemistry},
  YEAR = 2000,
  VOLUME = 27,
  PAGES = {43-51}
}

@ARTICLE{avery00:molecules,
  AUTHOR = {John Avery and Stephen Sauer},
  TITLE = {Many-Electron Sturmians Applied to Molecules},
  JOURNAL = {Quantum Systems in Chemistry and Physics},
  YEAR = 2000,
  VOLUME = 1,
  NOTE = {A. HernŠndez-Laguna, J. Maruani, R. McWeeney and S. Wilson editors, Kluwer Academic Publishers}
}

@ARTICLE{avery99:atoms,
  AUTHOR = {John Avery},
  TITLE = {Many-Electron Sturmians Applied to Atoms and Ions},
  JOURNAL = {Journal of Molecular Structure},
  YEAR = 1999,
  VOLUME = 458,
  PAGES = {1-9}
}

@ARTICLE{avery99:sturmian-alternative,
  AUTHOR = {John Avery},
  TITLE = {Many-Electron Sturmians as an Alternative to the SCF-CI Method},
  JOURNAL = {Advances in Quantum Chemistry},
  YEAR = 1999,
  VOLUME = 31,
  PAGES = {201-229}
}

@ARTICLE{avery98:relativistic-sturmians,
  AUTHOR = {John Avery and Frank Antonsen},
  TITLE = {Relativistic Sturmian Basis Functions},
  JOURNAL = {Journal of Mathematical Chemistry},
  YEAR = 1998,
  VOLUME = 24,
  PAGES = {175-185}
}

@ARTICLE{avery92:hyperspherical-sturmians,
  AUTHOR = {John Avery and Dudley Herschbach},
  TITLE = {Hyperspherical Sturmian Basis Functions},
  JOURNAL = {International Journal of Quantum Chemistry},
  YEAR = 1992,
  VOLUME = 41,
  NUMBER = 5,
  PAGES = {673-686}
}

@ARTICLE{avery96:sturmians-in-momentum-space,
  AUTHOR = {John Avery and Tom BÝrsen Hansen and Minchang Wang and Frank Antonsen},
  TITLE = {Sturmian basis sets in momentum space},
  JOURNAL = {International Journal of Quantum Chemistry},
  YEAR = 1996,
  VOLUME = 57,
  NUMBER = 3,
  PAGES = {401-411}
}

@ARTICLE{aquilanti01:hyperspherical-sturm,
  AUTHOR = {Vincenzo Aquilanti and Simonetta Cavalli and Cecilia Coletti and D. Di Domenico and G. Grossi},
  TITLE = {Hyperspherical harmonics as Sturmian orbitals in momentum space: a systematic 
                  approach to the few-body Coulomb problem},
  JOURNAL = {International Reviews in Physical Chemistry},
  YEAR = 2001,
  VOLUME = 20,
  NUMBER = 4,
  PAGES = {673-709},
  MONTH = {October}
}

@ARTICLE{aquilanti96:alternate-sturm-bases,
  AUTHOR = {Vincenzo Aquilanti and Simonetta Cavalli and Cecilia Coletti and G. Grossi},
  TITLE = {Alternative Sturmian Bases and Momentum Space Orbitals: an Application to the Hydrogen Molecular Ion},
  JOURNAL = {Journal of Chemical Physics},
  YEAR = 1996,
  VOLUME = 209,
  PAGES = {405-419}
}

@ARTICLE{aquilanti03:hydrogenic_orbitals,
  AUTHOR = {Vincenzo Aquilanti and  Andrea Caligiana and  Simonetta Cavalli and  Cecilia Coletti},
  TITLE = {Hydrogenic orbitals in momentum space and hyperspherical harmonics: Elliptic Sturmian basis sets},
  JOURNAL = {International Journal of Quantum Chemistry},
  YEAR = 2003,
  VOLUME = 92,
  NUMBER = 2
}

@ARTICLE{aquilanti01:and-avery,
  AUTHOR = {Vincenzo Aquilanti and John Avery},
  TITLE = {Sturmian Expansions for Quantum Mechanical Many-Body Problems and Hyperspherical Harmonics },
  JOURNAL = {Advances in Quantum Chemistry},
  YEAR = 2001,
  VOLUME = 39,
  PAGES = {72-101}
}

@ARTICLE{aquilanti97:d-dim,
  AUTHOR = {Vincenzo Aquilanti and Simonetta Cavalli and Cecilia Coletti},
  TITLE = {The d-dimensional hydrogen atom: hyperspherical harmonics as momentum space orbitals and alternative Sturmian basis sets},
  JOURNAL = {Chemical Physics},
  YEAR = 1997,
  VOLUME = 214,
  PAGES = {1-13}
}

@ARTICLE{aquilanti02:molecules,
  AUTHOR = {Vincenzo Aquilanti and Andrea Caligiana},
  TITLE = {Sturmian approach to one-electron many-center systems: integrals and iteration schemes},
  JOURNAL = {Chemical Physics Letters},
  YEAR = 2002,
  VOLUME = 366,
  PAGES = {157-164}
}

@ARTICLE{aquilanti04:molecules,
  AUTHOR = {Vincenzo Aquilanti and Andrea Caligiana},
  TITLE = {Sturmian orbitals and molecular structure},
  JOURNAL = {Journal of molecular structure (Theochem)},
  YEAR = 2004,
  VOLUME = 709,
  PAGES = {15-23}
}

@ARTICLE{caligiana03:intro,
  AUTHOR = {Vincenzo Aquilanti and Andrea Caligiana},
  TITLE = {Sturmian Orbitals in Quantum Chemistry:  An Introduction},
  JOURNAL = {Fundamental world of quantum chemistry: a tribute volume to the memory of {P}er-{O}lov {L}Ųwdin},
  YEAR = 2003,
  VOLUME = {I},
  PAGES = {297-316},
  NOTE = {E. J. Bršndas and E. S.  Kryachko (Eds.), Kluwer, Dordrecht}
}

@ARTICLE{radoslaw00:completeness,
  AUTHOR = {Radoslaw Szmytkowski},
  TITLE = {Remarks on completeness of many-electron Sturmians},
  JOURNAL = {J. Phys. A: Math. Gen.},
  YEAR = 2000,
  VOLUME = 33,
  PAGES = {4553-4559}
}

@ARTICLE{radoslaw96:dirac,
  AUTHOR = {Radoslaw Szmytkowski},
  TITLE = {The Dirac - Coulomb Sturmians and the series expansion of the Dirac - Coulomb Green function: application to the relativistic polarizability of the hydrogen-like atom},
  JOURNAL = {J. Phys. B: At. Mol. Opt. Phys.},
  YEAR = 1997,
  VOLUME = 30,
  PAGES = {825-861}
}

@MISC{flock:bornoppenheimer,
  AUTHOR = {Michaela Flock and Anne-Marie Kelterer and Michael Ramek},
  TITLE = {Theoretical Chemistry Tutorial: {B}orn-{O}ppenheimer Approximation.},
  INSTITUTION = {Institut fŁr Physikalische und Theoretische Chemie, Arbeitsbereich Quantenchemie, Technische Universitšt Graz, Austria},
  HOWPUBLISHED = {\\\url{http://fptchlx03.tu-graz.ac.at/tc_tutorial/tcboE.html}}
}

@BOOK{Numerical-Recipes-in-C,
  AUTHOR = {William H. Press and Saul A. Teukolsky and William T. Vetterling and Brian P. Flannery},
  TITLE = {Numerical Recipes in C: The Art of Scientific Computing},
  YEAR = {1992},
  ISBN = {0521437148},
  PUBLISHER = {Cambridge University Press},
  ADDRESS = {New York, NY, USA}
}

@MISC{mathlink,
  AUTHOR = {Wolfram Research},
  TITLE = {{MathLink}},
  HOWPUBLISHED = {\url{http://www.wolfram.com/solutions/mathlink/mathlink.html}},
  NOTE = {(Protocol and interface for communicating with Mathematica processes.)}
}

@MISC{mathlink-tutorial,
  AUTHOR = {Todd Gayley},
  TITLE = {A {MathLink} Tutorial},
  HOWPUBLISHED = {\url{http://library.wolfram.com/infocenter/TechNotes/174/}},
  YEAR = 1999
}


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