Zobrazeno 1 - 10
of 105
pro vyhledávání: '"Limacher, Peter"'
Autor:
Gaikwad, Pratiksha B., Kim, Taewon D., Richer, M., Lokhande, Rugwed A., Sánchez-Díaz, Gabriela, Limacher, Peter A., Ayers, Paul W., Miranda-Quintana, Ramón Alain
Electron pairs have an illustrious history in chemistry, from powerful concepts to understanding structural stability and reactive changes, to the promise of serving as building blocks of quantitative descriptions of the electronic structure of compl
Externí odkaz:
http://arxiv.org/abs/2310.01764
Autor:
Awasthi, Abhishek, Bär, Francesco, Doetsch, Joseph, Ehm, Hans, Erdmann, Marvin, Hess, Maximilian, Klepsch, Johannes, Limacher, Peter A., Luckow, Andre, Niedermeier, Christoph, Palackal, Lilly, Pfeiffer, Ruben, Ross, Philipp, Safi, Hila, Schönmeier-Kromer, Janik, von Sicard, Oliver, Wenger, Yannick, Wintersperger, Karen, Yarkoni, Sheir
Publikováno v:
Arai, K. (eds) Intelligent Computing. SAI 2023. Lecture Notes in Networks and Systems, vol 739
Optimization problems are ubiquitous in various industrial settings, and multi-knapsack optimization is one recurrent task faced daily by several industries. The advent of quantum computing has opened a new paradigm for computationally intensive task
Externí odkaz:
http://arxiv.org/abs/2301.05750
Autor:
Johnson, Paul A., Ayers, Paul W., De Baerdemacker, Stijn, Limacher, Peter A., Van Neck, Dimitri
We develop a bivariational principle for an antisymmetric product of nonorthogonal geminals. Special cases reduce to the antisymmetric product of strongly-orthogonal geminals (APSG), the generalized valence bond-perfect pairing (GVB-PP), and the anti
Externí odkaz:
http://arxiv.org/abs/2203.02624
We employ tensor network methods for the study of the seniority quantum number - defined as the number of unpaired electrons in a many-body wave function - in molecular systems. Seniority-zero methods recently emerged as promising candidates to treat
Externí odkaz:
http://arxiv.org/abs/2008.00733
Autor:
Gaikwad, Pratiksha B., Kim, Taewon D., Richer, M., Lokhande, Rugwed A., Sánchez-Díaz, Gabriela, Limacher, Peter A., Ayers, Paul W., Miranda-Quintana, Ramón Alain
Publikováno v:
Journal of Chemical Physics; 4/14/2024, Vol. 160 Issue 14, p1-19, 19p
Autor:
Boguslawski, Katharina, Tecmer, Paweł, Limacher, Peter A., Johnson, Paul A., Ayers, Paul W., Bultinck, Patrick, De Baerdemacker, Stijn, Van Neck, Dimitri
Publikováno v:
J. Phys. Chem., 140, 214114 (2014)
We present a new, non-variational orbital-optimization scheme for the Antisymmetric Product of one-reference orbital Geminal wave function. Our approach is motivated by the observation that an orbital-optimized seniority-zero configuration interactio
Externí odkaz:
http://arxiv.org/abs/1404.1426
Publikováno v:
Journal of Chemical Physics, 136, 134110 (2012)
We have implemented the sweep algorithm for the variational optimization of SU(2) x U(1) (spin and particle number) invariant matrix product states (MPS) for general spin and particle number invariant fermionic Hamiltonians. This class includes non-r
Externí odkaz:
http://arxiv.org/abs/1202.0177
We have implemented the single-site density matrix renormalization group algorithm for the variational optimization of SU(2) \times U(1) (spin and particle number) invariant matrix product states for general spin and particle number symmetric fermion
Externí odkaz:
http://arxiv.org/abs/1111.5701
Autor:
Johnson, Paul A., Limacher, Peter A., Kim, Taewon D., Richer, Michael, Miranda-Quintana, Ramón Alain, Heidar-Zadeh, Farnaz, Ayers, Paul W., Bultinck, Patrick, De Baerdemacker, Stijn, Van Neck, Dimitri
Publikováno v:
In Computational and Theoretical Chemistry 15 September 2017 1116:207-219
Publikováno v:
In Chemical Physics Letters 16 August 2017 682:160-167