Volume 50, Issue 3

Search all Journal of Mathematical Chemistry articles

March 2012

Special Issue on Mathematical Methods for Ab Initio Quantum Chemistry: 2006-2010 Meetings

Issue Editor:

Patrick Cassam-Chenaï

13 articles in this issue

Guest editorial
Patrick Cassam-Chenaï
Guest Editorial 23 December 2011 Pages: 439 - 439
Part of 1 collection:

Special Issue on Mathematical Methods for Ab Initio Quantum Chemistry: 2006-2010 Meetings
Harmonium as a laboratory for mathematical chemistry
Kurusch Ebrahimi-Fard
José M. Gracia-Bondía
Original Paper 01 May 2011 Pages: 440 - 454
Part of 1 collection:

Special Issue on Mathematical Methods for Ab Initio Quantum Chemistry: 2006-2010 Meetings
Generalized P, Q and G conditions
Brian Weiner
Original Paper 20 May 2011 Pages: 455 - 491
Part of 1 collection:

Special Issue on Mathematical Methods for Ab Initio Quantum Chemistry: 2006-2010 Meetings
Combining the G-particle-hole hypervirial equation and the hermitian operator method to study electronic excitations and de-excitations
Carmela Valdemoro
Diego R. Alcoba
Encarnación Pérez-Romero
Original Paper 15 May 2011 Pages: 492 - 509
Part of 1 collection:

Special Issue on Mathematical Methods for Ab Initio Quantum Chemistry: 2006-2010 Meetings
Geminals in Dirac–Coulomb Hamiltonian eigenvalue problem
Grzegorz Pestka
Mirosław Bylicki
Jacek Karwowski
Original Paper 06 May 2011 Pages: 510 - 533
Part of 1 collection:

Special Issue on Mathematical Methods for Ab Initio Quantum Chemistry: 2006-2010 Meetings
Strongly orthogonal geminals: size-extensive and variational reference states
Péter R. Surján
Ágnes Szabados
Tamás Zoboki
Original Paper 01 June 2011 Pages: 534 - 551
Part of 1 collection:

Special Issue on Mathematical Methods for Ab Initio Quantum Chemistry: 2006-2010 Meetings
Nonlocal, noncommutative diagrammatics and the linked cluster theorems
Christian Brouder
Frédéric Patras
Original Paper 12 May 2011 Pages: 552 - 576
Part of 1 collection:

Special Issue on Mathematical Methods for Ab Initio Quantum Chemistry: 2006-2010 Meetings
Non linear adjustments with external conditions
Roberto Marquardt
Original Paper 05 May 2011 Pages: 577 - 587
Part of 1 collection:

Special Issue on Mathematical Methods for Ab Initio Quantum Chemistry: 2006-2010 Meetings
A Monte Carlo error estimator for the expansion of rigid-rotor potential energy surfaces
Claire Rist
Alexandre Faure
Original Paper 05 May 2011 Pages: 588 - 601
Part of 1 collection:

Special Issue on Mathematical Methods for Ab Initio Quantum Chemistry: 2006-2010 Meetings
Non-adiabatic transitions near avoided crossings: theory and numerics
Raoul Bourquin
Vasile Gradinaru
George A. Hagedorn
Original Paper 01 May 2011 Pages: 602 - 619
Part of 1 collection:

Special Issue on Mathematical Methods for Ab Initio Quantum Chemistry: 2006-2010 Meetings
Single switch surface hopping for molecular quantum dynamics
Clotilde Fermanian-Kammerer
Caroline Lasser
Original Paper 12 April 2011 Pages: 620 - 635
Part of 1 collection:

Special Issue on Mathematical Methods for Ab Initio Quantum Chemistry: 2006-2010 Meetings
A paradox of grid-based representation techniques: accurate eigenvalues from inaccurate matrix elements
Viktor Szalay
Tamás Szidarovszky
Attila G. Császár
Original Paper 04 June 2011 Pages: 636 - 651
Part of 1 collection:

Special Issue on Mathematical Methods for Ab Initio Quantum Chemistry: 2006-2010 Meetings
Frequently asked questions on the mean field configuration interaction method. I-distinguishable degrees of freedom
P. Cassam-Chenaï
A. Ilmane
Original Paper 15 September 2011 Pages: 652 - 667
Part of 1 collection:

Special Issue on Mathematical Methods for Ab Initio Quantum Chemistry: 2006-2010 Meetings

Volume 50, Issue 3

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