Accelerating coupled cluster calculations with nonlinear dynamics and supervised machine learning
Author:
Affiliation:
1. Department of Chemistry, Indian Institute of Technology Bombay, Mumbai, India
2. Department of Energy Science and Engineering, Indian Institute of Technology Bombay, Mumbai, India
Funder
IIT Bombay Seed Grant
Science and Engineering Research Board
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/5.0037090
Reference25 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. Coupled-cluster theory in quantum chemistry
5. Iterative solution of Bloch-type equations: stability conditions and chaotic behavior
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