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Cited article:

Magnetic Interactions in Molecules and Highly Correlated Materials: Physical Content, Analytical Derivation, and Rigorous Extraction of Magnetic Hamiltonians

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Chemical Reviews 114 (1) 429 (2014)
https://doi.org/10.1021/cr300500z

Structure and Bonding in Metal−Oxide Systems:  The CuMgO and CuCaO Molecular Systems

Núria López and Francesc Illas
The Journal of Physical Chemistry 100 (40) 16275 (1996)
https://doi.org/10.1021/jp961069p

Natural polyelectron population analysis

Ramóan M. Parrondo, Padeleimon Karafiloglou and Enrique Sánchez Marcos
International Journal of Quantum Chemistry 52 (5) 1127 (1994)
https://doi.org/10.1002/qua.560520502

Simultaneous presence of two charges or two spins in a linear polyene

P. Karafiloglou and G. Kapsomenos
Theoretica Chimica Acta 88 (5) 395 (1994)
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Examination of the Hund rule in closed‐shell systems: Investigation of spin correlation effects

Ramón Martín Parrondo, Padeleimon Karafiloglou and Enrique Śnchez Marcos
International Journal of Quantum Chemistry 47 (3) 191 (1993)
https://doi.org/10.1002/qua.560470304

Investigating the possibility of simultaneously finding an electron‐hole and an electron‐pair in a molecule: Delocalization, competition of ionic vs. covalent character, and related effects in push–pull ethylenes

Padeleimon Karafiloglou and Enrique Sánchez Marcos
International Journal of Quantum Chemistry 44 (3) 337 (1992)
https://doi.org/10.1002/qua.560440304

The effect of dynamical correlation on the valence wavefunction of molecules: Dressed complete active space self-consistent field calculations

A. Clotet, J.P. Daudey, J.P. Malrieu, J. Rubio and F. Spiegelmann
Chemical Physics 147 (2-3) 293 (1990)
https://doi.org/10.1016/0301-0104(90)85045-X

Electronic correlation and effective interactions in small alkali clusters

F. Spiegelmann, P. Blaise, J. P. Malrieu and D. Maynau
Zeitschrift für Physik D Atoms, Molecules and Clusters 12 (1-4) 341 (1989)
https://doi.org/10.1007/BF01426968

Metallic vs chemical bonding: A valence bond analysis of small Lin clusters wave functions

D. Maynau and J. P. Malrieu
The Journal of Chemical Physics 88 (5) 3163 (1988)
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Dynamical and nondynamical correlation effects in a b i n i t i o chemisorption cluster model calculations. Ground and low lying states of H on Cu(100) and Ag(100)

F. Illas, J. Rubio and J. M. Ricart
The Journal of Chemical Physics 88 (1) 260 (1988)
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Simplified treatment of organic substituents in SCF-CI calculations. The methyl group

Renzo Cimiraglia, Daniel Maynau and Maurizio Persico
The Journal of Chemical Physics 87 (3) 1653 (1987)
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Inexpensive determinations of valence virtual MOs for CI calculations

Francesc Illas, Manuela Merchan, Michel Pelissier and Jean-Paul Marlieuu̧
Chemical Physics 107 (2-3) 361 (1986)
https://doi.org/10.1016/0301-0104(86)85014-5