Extension of the Fock-space coupled-cluster method with singles and doubles to the three-valence sector
Author:
Affiliation:
1. Institute of Physics, Nicholaus Copernicus University, Grudziadzka 5/7, 87-100 Toruń, Poland
2. Institute of Chemistry, University of Silesia in Katowice, Szkolna 9, 40-006 Katowice, Poland
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/5.0014941
Reference107 articles.
1. On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods
2. On the Use of the Cluster Expansion and the Technique of Diagrams in Calculations of Correlation Effects in Atoms and Molecules
3. Correlation problems in atomic and molecular systems III. Rederivation of the coupled-pair many-electron theory using the traditional quantum chemical methodst
4. Correlation Problems in Atomic and Molecular Systems. IV. Extended Coupled-Pair Many-Electron Theory and Its Application to the BH3Molecule
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1. Triple Electron Attachments with a New Intermediate-Hamiltonian Fock-Space Coupled-Cluster Method;The Journal of Physical Chemistry A;2024-09-13
2. A new intermediate Hamiltonian Fock-space coupled-cluster formalism for the three-valence sector;Molecular Physics;2022-04-26
3. Intermediate Hamiltonian Fock-space coupled-cluster theory for excitation energies, double ionization potentials, and double electron attachments with spin–orbit coupling;The Journal of Chemical Physics;2022-03-21
4. Relativistic Fock space coupled-cluster study of bismuth electronic structure to extract the Bi nuclear quadrupole moment;Physical Review C;2021-09-20
5. An efficient Fock space multi-reference coupled cluster method based on natural orbitals: Theory, implementation, and benchmark;The Journal of Chemical Physics;2021-07-07
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