Center for Molecular Modeling - Prof. Dr. Patrick Bultinck https://molmod.ugent.be/promotors/prof-dr-patrick-bultinck en Variational information-theoretic atoms-in-molecules https://molmod.ugent.be/thesis/variational-information-theoretic-atoms-molecules <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> F. Heidar-Zadeh </span> </div> <div class="field field-name-field-thesis-date field-type-date field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-single" property="dc:date" datatype="xsd:dateTime" content="2017-07-07T00:00:00+02:00">Fri, 07/07/2017</span></div> </div> </div> <div class="field field-name-field-lib-link field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even"><div class="tex2jax"><p><a href="http://hdl.handle.net/1854/LU-8531565">http://hdl.handle.net/1854/LU-8531565</a></p> </div></div> </div> </div> <div class="field field-name-field-promotoren field-type-taxonomy-term-reference field-label-inline clearfix"> <h3 class="field-label">Supervisors</h3> <span class="field-items"> <a href="/promotors/prof-dr-paul-w-ayers" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. Paul W. Ayers</a>, <a href="/promotors/prof-dr-patrick-bultinck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. Patrick Bultinck</a>, <a href="/promotors/prof-dr-ir-toon-verstraelen" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. ir. Toon Verstraelen</a> </span> </div> Wed, 28 Nov 2018 07:27:15 +0000 wim 5254 at https://molmod.ugent.be https://molmod.ugent.be/thesis/variational-information-theoretic-atoms-molecules#comments Variational determination of the two-particle density matrix: the case of doubly-occupied space https://molmod.ugent.be/thesis/variational-determination-two-particle-density-matrix-case-doubly-occupied-space <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> W. Poelmans </span> </div> <div class="field field-name-field-thesis-date field-type-date field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-single" property="dc:date" datatype="xsd:dateTime" content="2015-09-16T00:00:00+02:00">Wed, 16/09/2015</span></div> </div> </div> <div class="field field-name-field-location field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghent</div> </div> </div> <div class="field field-name-field-lib-link field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even"><div class="tex2jax"><p><a href="http://hdl.handle.net/1854/LU-6933577">http://hdl.handle.net/1854/LU-6933577</a></p> </div></div> </div> </div> <div class="field field-name-field-promotoren field-type-taxonomy-term-reference field-label-inline clearfix"> <h3 class="field-label">Supervisors</h3> <span class="field-items"> <a href="/promotors/prof-dr-dimitri-van-neck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. Dimitri Van Neck</a>, <a href="/promotors/prof-dr-patrick-bultinck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. Patrick Bultinck</a> </span> </div> <div class="field field-name-field-private-thesis-attachment field-type-file field-label-above"> <h3><div class="field-label">Attachment (private)&nbsp;</div></h3> <div class="field-items"> <div class="field-item even"><span class="file"><img class="file-icon" alt="PDF icon" title="application/pdf" src="/modules/file/icons/application-pdf.png" /> <a href="https://molmod.ugent.be/system/files/PhD-Ward-Poelmans_0.pdf" type="application/pdf; length=11568193">PhD-Ward-Poelmans.pdf</a></span></div> </div> </div> Wed, 16 Sep 2015 13:32:44 +0000 wim 3934 at https://molmod.ugent.be https://molmod.ugent.be/thesis/variational-determination-two-particle-density-matrix-case-doubly-occupied-space#comments Model Wavefunction Forms to Describe Strong Correlation in Quantum Chemistry https://molmod.ugent.be/thesis/model-wavefunction-forms-describe-strong-correlation-quantum-chemistry <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> P.A. Johnson </span> </div> <div class="field field-name-field-thesis-date field-type-date field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-single" property="dc:date" datatype="xsd:dateTime" content="2014-09-28T00:00:00+02:00">Sun, 28/09/2014</span></div> </div> </div> <div class="field field-name-field-location field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">McMaster University, Hamilton, Ontario, Canada</div> </div> </div> <div class="field field-name-field-lib-link field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even"><div class="tex2jax"><p><a href="http://hdl.handle.net/1854/LU-5752763">http://hdl.handle.net/1854/LU-5752763</a></p> </div></div> </div> </div> <div class="field field-name-field-promotoren field-type-taxonomy-term-reference field-label-inline clearfix"> <h3 class="field-label">Supervisors</h3> <span class="field-items"> <a href="/promotors/prof-dr-paul-w-ayers" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. Paul W. Ayers</a>, <a href="/promotors/prof-dr-dimitri-van-neck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. Dimitri Van Neck</a>, <a href="/promotors/prof-dr-patrick-bultinck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. Patrick Bultinck</a> </span> </div> <div class="field field-name-field-private-thesis-attachment field-type-file field-label-above"> <h3><div class="field-label">Attachment (private)&nbsp;</div></h3> <div class="field-items"> <div class="field-item even"><span class="file"><img class="file-icon" alt="PDF icon" title="application/pdf" src="/modules/file/icons/application-pdf.png" /> <a href="https://molmod.ugent.be/system/files/PAJ_thesis_Aug25.pdf" type="application/pdf; length=1129919">PAJ_thesis_Aug25.pdf</a></span></div> </div> </div> Mon, 10 Nov 2014 11:09:14 +0000 wim 3376 at https://molmod.ugent.be https://molmod.ugent.be/thesis/model-wavefunction-forms-describe-strong-correlation-quantum-chemistry#comments Variational determination of the two-particle density matrix as a quantum many-body technique https://molmod.ugent.be/thesis/variational-determination-two-particle-density-matrix-quantum-many-body-technique <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> B. Verstichel </span> </div> <div class="field field-name-field-thesis-date field-type-date field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-single" property="dc:date" datatype="xsd:dateTime" content="2012-03-30T00:00:00+02:00">Fri, 30/03/2012</span></div> </div> </div> <div class="field field-name-field-location field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghent</div> </div> </div> <div class="field field-name-field-lib-link field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even"><div class="tex2jax"><p><a href="http://hdl.handle.net/1854/LU-2076182">http://hdl.handle.net/1854/LU-2076182</a></p> </div></div> </div> </div> <div class="field field-name-field-promotoren field-type-taxonomy-term-reference field-label-inline clearfix"> <h3 class="field-label">Supervisors</h3> <span class="field-items"> <a href="/promotors/prof-dr-dimitri-van-neck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. Dimitri Van Neck</a>, <a href="/promotors/prof-dr-patrick-bultinck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. Patrick Bultinck</a> </span> </div> <div class="field field-name-field-private-thesis-attachment field-type-file field-label-above"> <h3><div class="field-label">Attachment (private)&nbsp;</div></h3> <div class="field-items"> <div class="field-item even"><span class="file"><img class="file-icon" alt="PDF icon" title="application/pdf" src="/modules/file/icons/application-pdf.png" /> <a href="https://molmod.ugent.be/system/files/PhD_BVerstichel.pdf" type="application/pdf; length=3140550">PhD_BVerstichel.pdf</a></span></div> </div> </div> Wed, 28 Mar 2012 10:13:34 +0000 wim 1221 at https://molmod.ugent.be https://molmod.ugent.be/thesis/variational-determination-two-particle-density-matrix-quantum-many-body-technique#comments PARTITIONERING VAN EEN MOLECULAIRE DICHTHEIDSMATRIX OVER DE ATOMEN https://molmod.ugent.be/share/partitionering-van-een-moleculaire-dichtheidsmatrix-over-de-atomen <div class="field field-name-field-academicyear field-type-list-integer field-label-above"> <h3><div class="field-label">Academic year&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">2012-2013</div> </div> </div> <div class="field field-name-field-studyprogramme field-type-list-text field-label-above"> <h3><div class="field-label">Study programme&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">M. Toegepaste Natuurkunde</div> <div class="field-item odd">M. Chemie</div> <div class="field-item even">M. Fysica</div> </div> </div> <div class="field field-name-field-suject-category field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Subject category</h3> <span class="field-items"> Many-particle physics </span> </div> <div class="field field-name-field-subject-reference field-type-text field-label-above"> <h3><div class="field-label">Referentie&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">MM_12_FUND_03</div> </div> </div> <div class="field field-name-field-thesis-attachment field-type-file field-label-above"> <h3><div class="field-label">Attachment&nbsp;</div></h3> <div class="field-items"> <div class="field-item even"><span class="file"><img class="file-icon" alt="PDF icon" title="application/pdf" src="/modules/file/icons/application-pdf.png" /> <a href="//molmod.ugent.be/sites/default/files/MM_12_FUND_03.pdf" type="application/pdf; length=293001">MM_12_FUND_03.pdf</a></span></div> </div> </div> <div class="field field-name-field-thesis-supervisors field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Promotor(en)</h3> <span class="field-items"> Prof. Dr. Dimitri Van Neck, Prof. Dr. Patrick Bultinck </span> </div> Mon, 26 Mar 2012 09:20:31 +0000 wim 1180 at https://molmod.ugent.be https://molmod.ugent.be/share/partitionering-van-een-moleculaire-dichtheidsmatrix-over-de-atomen#comments The Atom-In-Molecule concept from a density-matrix perspective https://molmod.ugent.be/thesis/atom-molecule-concept-density-matrix-perspective <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> D. Vanfleteren </span> </div> <div class="field field-name-field-thesis-date field-type-date field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-single" property="dc:date" datatype="xsd:dateTime" content="2011-10-10T00:00:00+02:00">Mon, 10/10/2011</span></div> </div> </div> <div class="field field-name-field-location field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghent</div> </div> </div> <div class="field field-name-field-lib-link field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even"><div class="tex2jax"><p><a href="https://biblio.ugent.be/publication/1935921">https://biblio.ugent.be/publication/1935921</a></p> </div></div> </div> </div> <div class="field field-name-field-promotoren field-type-taxonomy-term-reference field-label-inline clearfix"> <h3 class="field-label">Supervisors</h3> <span class="field-items"> <a href="/promotors/prof-dr-dimitri-van-neck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. Dimitri Van Neck</a>, <a href="/promotors/prof-dr-patrick-bultinck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. Patrick Bultinck</a> </span> </div> <div class="field field-name-field-private-thesis-attachment field-type-file field-label-above"> <h3><div class="field-label">Attachment (private)&nbsp;</div></h3> <div class="field-items"> <div class="field-item even"><span class="file"><img class="file-icon" alt="PDF icon" title="application/pdf" src="/modules/file/icons/application-pdf.png" /> <a href="https://molmod.ugent.be/system/files/PHD_Diederik_Vanfleteren_final.pdf" type="application/pdf; length=13884493">PHD_Diederik_Vanfleteren_final.pdf</a></span></div> </div> </div> Thu, 29 Sep 2011 10:37:53 +0000 wim 417 at https://molmod.ugent.be https://molmod.ugent.be/thesis/atom-molecule-concept-density-matrix-perspective#comments