Formulation of a Dressed Coupled-Cluster Method with Implicit Triple Excitations and Benchmark Application to Hydrogen-Bonded Systems
Author:
Affiliation:
1. Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India
Funder
Science and Engineering Research Board
Indian Institute of Technology Bombay
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00736
Reference74 articles.
1. Bound states of a many-particle system
2. Short-range correlations in nuclear wave functions
3. On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods
4. On the Use of the Cluster Expansion and the Technique of Diagrams in Calculations of Correlation Effects in Atoms and Molecules
5. Coupled‐cluster methods with noniterative triple excitations for restricted open‐shell Hartree–Fock and other general single determinant reference functions. Energies and analytical gradients
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