ℹ️
🇬🇧
Search
Search for publications relevant for "coupled cluster"
coupled cluster
Publication
Class
Person
Publication
Programmes
Export current view
publication
Multireference coupled cluster study of the oxyallyl diradical
2012 |
Faculty of Science, Central Library of Charles University
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
Toward DMRG-tailored coupled cluster method in the 4c-relativistic domain
2020 |
Faculty of Mathematics and Physics
publication
Relativistic coupled clusters externally corrected by four-component DMRG
2019 |
Faculty of Mathematics and Physics, Faculty of Science
publication
Electron Affinities of BN, NO and NF: Coupled Cluster and Multireference Configuration Interaction Calculations
2005 |
Faculty of Science
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
The Intricate Case of Tetramethyleneethane: A Full Configuration Interaction Quantum Monte Carlo Benchmark and Multireference Coupled Cluster Studies
2018 |
Faculty of Mathematics and Physics
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
Structure and Stability of the Water-Graphite Complexes
2009 |
Faculty of Science, Central Library of Charles University
publication
Molecular ion LiHe+: ab initio study
2012 |
Faculty of Mathematics and Physics
publication
A MRCC study of the isomerisation of cyclopropane
2017 |
Faculty of Science, Central Library of Charles University
publication
Comprehensive Theoretical View of the [Cu2O2] Side-on-Peroxo-/Bis-μ-Oxo Equilibria
2022 |
Faculty of Science, Central Library of Charles University
publication
van der Waals coefficients for systems with ultracold polar alkali-metal molecules
2013 |
Faculty of Mathematics and Physics
publication
Ab initio properties of MgAlk (Alk = Li, Na, K, Rb, Cs)
2012 |
Faculty of Mathematics and Physics
publication
Ab initio investigation of intermolecular interactions in solid benzene (Article No. 092103)
2008 |
Faculty of Mathematics and Physics
publication
Random-Phase Approximation in Many-Body Noncovalent Systems: Methane in a Dodecahedral Water Cage
2021 |
Faculty of Mathematics and Physics
publication
Investigation of the benzene-dimer potential energy surface: DFT/CCSD(T) correction scheme (Article No. 114102)
2008 |
Faculty of Mathematics and Physics
publication
A Jahn-Teller analysis of K-3 and Rb-3 in the electronic states 1(2)E ' and 1(2)E ''
2010 |
Faculty of Mathematics and Physics
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
A theoretical study of the BO2+ dication
2009 |
Faculty of Science
publication
A theoretical study of spectroscopy and metastability of the CN2+ dication
2012 |
Faculty of Science
publication
Towards Calculation of Accurate Adsorption Energies
2019 |
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
publication
Spectroscopic Signatures of Internal Hydrogen Bonds of Bronsted-Acid Sites in the Zeolite H-MFI
2023 |
Faculty of Science
publication
Accurate Description of Argon and Water Adsorption on Surfaces of Graphene-Based Carbon Allotropes
2011 |
Faculty of Science, Central Library of Charles University
publication
On the theoretical description of nuclear quadrupole coupling in P states of small molecules
2013 |
Faculty of Science
publication
On a simple way to calculate electronic resonances for polyatomic molecules
2015 |
Faculty of Mathematics and Physics
publication
Theoretical study of electric field gradients at nitrogen nuclei in HNO, CH3NO and C2H3NO
2010 |
Faculty of Science