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coupled cluster method
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Toward DMRG-tailored coupled cluster method in the 4c-relativistic domain
2020 |
Faculty of Mathematics and Physics
publication
Domain-Based Local Pair Natural Orbital Version of Mukherjee's State-Specific Coupled Cluster Method
2018 |
Faculty of Science, Central Library of Charles University
publication
Perturbative triples correction to domain-based local pair natural orbital variants of Mukherjee's state specific coupled cluster method
2019 |
Faculty of Science, Central Library of Charles University
publication
Comment on "The diatomic dication CuZn2+ in the gas phase" [J. Chem. Phys. 135, 034306 (2011)]
2013 |
Faculty of Science
publication
Multireference coupled cluster study of the oxyallyl diradical
2012 |
Faculty of Science, Central Library of Charles University
publication
The (2)Pi(g) shape resonance of acetylene anion: an investigation with the RAC method
2016 |
Faculty of Mathematics and Physics
publication
Potential energy surface for spin-polarized rubidium trimer
2010 |
Faculty of Mathematics and Physics
publication
Molecular ion LiHe+: ab initio study
2012 |
Faculty of Mathematics and Physics
publication
Ab initio properties of MgAlk (Alk = Li, Na, K, Rb, Cs)
2012 |
Faculty of Mathematics and Physics
publication
Towards Calculation of Accurate Adsorption Energies
2019 |
Faculty of Mathematics and Physics
publication
Near-Linear Scaling in DMRG-Based Tailored Coupled Clusters: An Implementation of DLPNO-TCCSD and DLPNO-TCCSD(T)
2020 |
Faculty of Mathematics and Physics, Faculty of Science
publication
Towards Accurate Calculations of Adsorption Energies
2018 |
Faculty of Mathematics and Physics
publication
Assessment of random phase approximation and second-order Moller-Plesset perturbation theory for many-body interactions in solid ethane, ethylene, and acetylene
2023 |
Faculty of Mathematics and Physics
publication
Calculation of atomic integrals between relativistic functions by means of algebraic methods
2022 |
Faculty of Mathematics and Physics
publication
MP2.5 and MP2.X: Approaching CCSD(T) Quality Description of Noncovalent Interaction at the Cost of a Single CCSD Iteration
2013 |
Faculty of Science