On the accurate calculation of polarizabilities and second hyperpolarizabilities of polyacetylene oligomer chains using the CAM-B3LYP density functional
Limacher, Peter A, Mikkelsen, Kurt V, Lüthi, Hans Peter
Published in The Journal of chemical physics (21.05.2009)
Published in The Journal of chemical physics (21.05.2009)
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Journal Article
A New Mean-Field Method Suitable for Strongly Correlated Electrons: Computationally Facile Antisymmetric Products of Nonorthogonal Geminals
Limacher, Peter A, Ayers, Paul W, Johnson, Paul A, De Baerdemacker, Stijn, Van Neck, Dimitri, Bultinck, Patrick
Published in Journal of chemical theory and computation (12.03.2013)
Published in Journal of chemical theory and computation (12.03.2013)
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Journal Article
Projected seniority-two orbital optimization of the antisymmetric product of one-reference orbital geminal
Boguslawski, Katharina, Tecmer, Paweł, Limacher, Peter A, Johnson, Paul A, Ayers, Paul W, Bultinck, Patrick, De Baerdemacker, Stijn, Van Neck, Dimitri
Published in The Journal of chemical physics (07.06.2014)
Published in The Journal of chemical physics (07.06.2014)
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Journal Article
Assessing the Accuracy of New Geminal-Based Approaches
Tecmer, Paweł, Boguslawski, Katharina, Johnson, Paul A, Limacher, Peter A, Chan, Matthew, Verstraelen, Toon, Ayers, Paul W
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02.10.2014)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02.10.2014)
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Journal Article
Simple and inexpensive perturbative correction schemes for antisymmetric products of nonorthogonal geminals
Limacher, Peter A, Ayers, Paul W, Johnson, Paul A, De Baerdemacker, Stijn, Van Neck, Dimitri, Bultinck, Patrick
Published in Physical chemistry chemical physics : PCCP (21.03.2014)
Published in Physical chemistry chemical physics : PCCP (21.03.2014)
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Journal Article
A systematic analysis of the structure and (hyper)polarizability of donor-acceptor substituted polyacetylenes using a Coulomb-attenuating density functional
Borini, Stefano, Limacher, Peter A, Lüthi, Hans Peter
Published in The Journal of chemical physics (28.09.2009)
Published in The Journal of chemical physics (28.09.2009)
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Journal Article
Finite Field Method for Nonlinear Optical Property Prediction Using Rational Function Approximants
Patel, Anand H. G, Mohammed, Ahmed A. K, Limacher, Peter A, Ayers, Paul W
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20.07.2017)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20.07.2017)
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Journal Article
Impact of Donor–Acceptor Functionalization on the Properties of Linearly π‑Conjugated Oligomers: Establishing Quantitative Relationships for the Substituent and Substituent Cooperative Effect Based on Quantum Chemical Calculations
Varkey, Elizabeth C, Hutter, Jürg, Limacher, Peter A, Lüthi, Hans P
Published in Journal of organic chemistry (20.12.2013)
Published in Journal of organic chemistry (20.12.2013)
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Journal Article
2,3-Diphenylbutadiene and Donor−Acceptor Functionalized Derivatives: Exploring the Competition between Conjugation Paths in Branched π-Systems
Limacher, Peter A, Lüthi, Hans Peter
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.04.2008)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.04.2008)
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Journal Article
Bivariational principle for an antisymmetrized product of nonorthogonal geminals appropriate for strong electron correlation
Johnson, Paul A., Ayers, Paul W., De Baerdemacker, Stijn, Limacher, Peter A., Van Neck, Dimitri
Published in Computational and theoretical chemistry (01.06.2022)
Published in Computational and theoretical chemistry (01.06.2022)
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