Interactions of lanthanide atoms : Comparative ab initio study of YbHe, Yb2 and TmHe, TmYb potentialsBUCHACHENKO, A. A; CHASASINSKI, G; SZCESNIAK, M. M et al.The European physical journal. D, Atomic, molecular and optical physics (Print). 2007, Vol 45, Num 1, pp 147-153, issn 1434-6060, 7 p.Conference Paper

Multireference Møller-Plesset perturbation theory using spin-dependent orbital energiesKOBAYASHI, Yuka; NAKANO, Haruyuki; HIRAO, Kimihiko et al.Chemical physics letters. 2001, Vol 336, Num 5-6, pp 529-535, issn 0009-2614Article

Calcul de propriétés de transition vibronique: cas des diatomiques d'alcalins et d'alcalino-terreux, et de l'éthylène = Calculation of vibronic transition properties: the alkali and alkaline-earth diatomics, and the ethyleneLeininger, Thierry; Jeung, G.-H.1994, 207 p.Thesis

Ab initio structures and stabilities of helide cations: HeXⁿ⁺(X = B-Ne, Al-Ar and n = 1-3)HUGHES, J. M; VON NAGY-FELSOBUKI, E. I.The European physical journal. D, Atomic, molecular and optical physics (Print). 1999, Vol 6, Num 2, pp 185-192, issn 1434-6060Article

All electron ab initio investigations of the electronic states of the FeC moleculeSHIM, I; GINGERICH, K. A.The European physical journal. D, Atomic, molecular and optical physics (Print). 1999, Vol 7, Num 2, pp 163-172, issn 1434-6060Article

Observations and modelling of diatomic molecular spectra from JETDUXBURY, G; STAMP, M. F; SUMMERS, H. P et al.Plasma physics and controlled fusion. 1998, Vol 40, Num 3, pp 361-370, issn 0741-3335Article

Multi-component molecular orbital theory for electrons and nuclei including many-body effect with full configuration interaction treatment: isotope effects on hydrogen moleculesTACHIKAWA, Masanori.Chemical physics letters. 2002, Vol 360, Num 5-6, pp 494-500, issn 0009-2614Article

Simultaneous optimization of molecular geometry and the wave function in a basis of Singer's n-electron explicitly correlated GaussiansCAFIERO, Mauricio; ADAMOWICZ, Ludwik.Chemical physics letters. 2001, Vol 335, Num 5-6, pp 404-408, issn 0009-2614Article

A parallel Full-CI algorithmANSALONI, R; BENDAZZOLI, G. L; EVANGELISTI, S et al.Computer physics communications. 2000, Vol 128, Num 1-2, pp 496-515, issn 0010-4655Article

Application de la chimie quantique à la spectroscopie structurale et à la dynamique radiative de LaF⁺ et GaH = Application of quantum chemistry to structural spectroscopy and radiative dynamics of LaF⁺ and GaHSbata, Mouna; Schamps, Joel.1999, 125 p.Thesis

Prédiction théorique de la structure électronique de molécules diatomiques comportant un alcalino-terreux = Theoretical prediction of the electronic structure of diatomic molecules containing an alkaline-earth atomBoutassetta, Nabil; Aubert Frecon, Monique.1997, 162 p.Thesis

Obtaining the right orbitals is the first step to calculating accurate binding energies for Cu⁺ ionLYNCH, Benjamin J; TRUHLAR, Donald G.Chemical physics letters. 2002, Vol 361, Num 3-4, pp 251-258, issn 0009-2614Article

Variational density matrix functional calculations for the corrected Hartree and corrected Hartree-Fock functionalsCOHEN, A. J; BAERENDS, E. J.Chemical physics letters. 2002, Vol 364, Num 3-4, pp 409-419, issn 0009-2614, 11 p.Article

Comment on : The importance of high-order correlation effects for the co-co interaction potential. Authors' replyPEDERSEN, Thomas Bondo; FERNANDEZ, Berta; KOCH, Henrik et al.Chemical physics letters. 2001, Vol 334, Num 4-6, pp 419-425, issn 0009-2614Article

The singlet oxygen absorption to the upper state of the Schumann-Runge system : The B³Σ_u^- ← a¹Δ_g and B³Σ_u^- ← b ¹Σ_g⁺ transitions intensity calculationMINAEV, B. F.PCCP. Physical chemistry chemical physics (Print). 1999, Vol 1, Num 15, pp 3403-3413, issn 1463-9076Article

Ab initio CI calculation of dynamic polarizabilities and hyperpolarizabilities of CF⁺ in its ground electronic state X¹Σ⁺MERAWA, M.Journal de chimie physique. 1996, Vol 93, Num 9, pp 1492-1508, issn 0021-7689Article

Spectroscopie et dynamique de molécules diatomiques: Ètude théorique des états excités du fluorure d'iode. Contribution expérimentale à la spectroscopie femtoseconde du dimère de césium = Spectroscopy and dynamic of diatomic molecules: Theoretical study of the iodine monofluoride excited states. Experimental contribution to the femtosecond spectroscopy of the cesium dimerCabrol, Olivier; Girard, B.1996, 300 p.Thesis

Ab initio study of the potential curves for CO (X¹Σ⁺), CH(X²Π) and OH (X²Π)BITTEREROVA, M; BISKUPIC, S; LISCHKA, H et al.Collection of Czechoslovak chemical communications. 1994, Vol 59, Num 6, pp 1241-1250, issn 0010-0765Article

Large electron correlation effect leading to Be-Be bondJEUNG, Gwang-Hi.Comptes rendus. Chimie. 2012, Vol 15, Num 2-3, pp 225-228, issn 1631-0748, 4 p.Article

Extended Hubbard model on a C₂₀ moleculeFEI LIN; SØRENSEN, Erik S; KALLIN, Catherine et al.Journal of physics. Condensed matter (Print). 2007, Vol 19, Num 45, issn 0953-8984, 456206.1-456206.14Article

Ionization excitation of diatomic systems having two active electrons by fast electron impact : a probe to electron correlationSEROV, Vladislav V; JOULAKIAN, Boghos B; DERBOV, Vladimir L et al.Journal of physics. B. Atomic, molecular and optical physics (Print). 2005, Vol 38, Num 15, pp 2765-2773, issn 0953-4075, 9 p.Article

Full configuration-interaction and coupled-cluster calculations of the indirect spin-spin coupling constant of BHAUER, Alexander A; GAUSS, Jürgen; PECUL, Magdalena et al.Chemical physics letters. 2003, Vol 368, Num 1-2, pp 172-176, issn 0009-2614, 5 p.Article

Ab initio calculations of the second dynamic hyperpolarizability of LiH by means of Floquet theory approachSHTOFF, A. V; RERAT, M; GUSAROV, S. I et al.The European physical journal. D, Atomic, molecular and optical physics (Print). 2001, Vol 15, Num 2, pp 199-208, issn 1434-6060Article

An accurate interaction potential for neon dimer (Ne₂)GDANITZ, Robert J.Chemical physics letters. 2001, Vol 348, Num 1-2, pp 67-74, issn 0009-2614Article

A one directional shooting method for the computation of diatomic centrifugal distortion constantsKOREK, M.Computer physics communications. 1999, Vol 119, Num 2-3, pp 169-178, issn 0010-4655Article