Ghent University Academic Bibliography

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Capturing correlation in the spin frustrated H3-ring using the generator coordinate method and spin-constrained generalised Hartree-Fock states

Xeno De Vriendt (UGent) , John De Vos (UGent) , Stijn De Baerdemacker (UGent) , Patrick Bultinck (UGent) and Guillaume Acke (UGent)

(2023) MOLECULAR PHYSICS. 121(9-10).
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Maximum probability domains for Hubbard models

Guillaume Acke (UGent) , Stijn De Baerdemacker (UGent) , Pieter Claeys (UGent) , Mario Van Raemdonck (UGent) , Ward Poelmans (UGent) , Dimitri Van Neck (UGent) and Patrick Bultinck (UGent)

(2016) MOLECULAR PHYSICS. 114(7-8). p.1392-1405
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The influence of orbital rotation on the energy of closed-shell wavefunctions

Peter A Limacher, Taewon D Kim, Paul W Ayers, Paul Johnson (UGent) , Stijn De Baerdemacker (UGent) , Dimitri Van Neck (UGent) and Patrick Bultinck (UGent)

(2014) MOLECULAR PHYSICS. 112(5-6). p.853-862
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Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Yihan Shao, Zhengting Gan, Evgeny Epifanovsky, Andrew TB Gilbert, Michael Wormit, Joerg Kussmann, Adrian W Lange, Andrew Behn, Jia Deng, Xintian Feng, et al.

(2014) MOLECULAR PHYSICS. 113(2). p.184-215
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Kinetic models for catalytic reactions from first principles: benzene hydrogenation

Mark Saeys (UGent) , Joris Thybaut (UGent) , M NEUROCK and Guy Marin (UGent)

(2004) MOLECULAR PHYSICS. 102(3). p.267-272
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Structure-property relationships and momentum space quantities : Hammett sigma-constants

L AMAT, Ramon Carbo-Dorca Carre (UGent) , DL COOPER, NL ALLAN and R PONEC

(2003) MOLECULAR PHYSICS. 101(21). p.3159-3162
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T-1 RELAXATION-TIME OF WATER FROM A MOLECULAR-DYNAMICS SIMULATION.

Guy Lippens (UGent) , D VANBELLE, SJ WODAK and J JEENER

(1993) MOLECULAR PHYSICS. 80(6). p.1469-1484
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Applicability of the SCF-Xα-SW method in the study of the stability of doubly positive microclusters : N2++

Bert Hoogewijs and Joost Vennik

(1985) MOLECULAR PHYSICS. 55(1). p.61-64

Academic Bibliography

Capturing correlation in the spin frustrated H3-ring using the generator coordinate method and spin-constrained generalised Hartree-Fock states

Maximum probability domains for Hubbard models

The influence of orbital rotation on the energy of closed-shell wavefunctions

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Kinetic models for catalytic reactions from first principles: benzene hydrogenation

Structure-property relationships and momentum space quantities : Hammett sigma-constants

T-1 RELAXATION-TIME OF WATER FROM A MOLECULAR-DYNAMICS SIMULATION.

Applicability of the SCF-Xα-SW method in the study of the stability of doubly positive microclusters : N2++

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