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Triple-Mode Cavity Perturbation Method for the Characterization of Anisotropic Media
2008 38th European Microwave Conference, 2008This paper presents a novel triple mode cavity perturbation method for the characterization of the permittivity and dielectric loss tensor of general biaxial anisotropic media. At first the basic theory of the cavity perturbation method is introduced. Then, an enhanced extraction procedure will be developed which leads to a set of equations for every ...
Alexander Gaebler +3 more
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Alternative perturbation theories for triple excitations in coupled-cluster theory
Molecular Physics, 2010The dominant method of small molecule quantum chemistry over the last twenty years is CCSD(T). Despite this success, RHF-based CCSD(T) fails for systems away from equilibrium. Work over the last ten years has lead to modifications of CCSD(T) that improve the description of bond breaking. These new methods include ΛCCSD(T), CCSD(2) T , CCSD(2) and CR-CC(
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The Journal of Chemical Physics, 2010
An accurate description of dispersion interactions is required for reliable theoretical studies of many noncovalent complexes. This can be obtained with the wave function-based formulation of symmetry-adapted perturbation theory (SAPT) provided that the contribution of triple excitations to dispersion is included. Unfortunately, this triples dispersion
Edward G, Hohenstein, C David, Sherrill
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An accurate description of dispersion interactions is required for reliable theoretical studies of many noncovalent complexes. This can be obtained with the wave function-based formulation of symmetry-adapted perturbation theory (SAPT) provided that the contribution of triple excitations to dispersion is included. Unfortunately, this triples dispersion
Edward G, Hohenstein, C David, Sherrill
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The Journal of Chemical Physics, 2006
The reduced multireference coupled-cluster method with singles and doubles (RMR CCSD) that employs multireference configuration interaction wave function as an external source for a small subset of approximate connected triples and quadruples, is perturbatively corrected for the remaining triples along the same lines as in the standard CCSD(T) method ...
Xiangzhu, Li, Josef, Paldus
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The reduced multireference coupled-cluster method with singles and doubles (RMR CCSD) that employs multireference configuration interaction wave function as an external source for a small subset of approximate connected triples and quadruples, is perturbatively corrected for the remaining triples along the same lines as in the standard CCSD(T) method ...
Xiangzhu, Li, Josef, Paldus
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Contractive perturbations in JB*-triples
Journal of the London Mathematical Society, 2012Francisco J. Fernández-Polo +2 more
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Perturbation theory for the triple-well anharmonic oscillator
Physical Review A, 1990, Damburg, , Propin, , Ryabykh
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Approaching Coupled Cluster Theory with Perturbative Triples using SYCL
International Workshop on OpenCL, 2021Abhishek Bagusetty +5 more
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2023
Coupled-cluster theory (CC) is valued for giving access to highly accurate andsystematically improvable solutions for the electronic Schrödinger equation. The mostused variant is the coupled-cluster with singles, doubles and perturbative triples(CCSD(T)).
Köhn, Andreas +2 more
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Coupled-cluster theory (CC) is valued for giving access to highly accurate andsystematically improvable solutions for the electronic Schrödinger equation. The mostused variant is the coupled-cluster with singles, doubles and perturbative triples(CCSD(T)).
Köhn, Andreas +2 more
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Treatment landscape of triple-negative breast cancer — expanded options, evolving needs
Nature Reviews Clinical Oncology, 2021Eapm Working Group For Oncology Clinical Research +2 more
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