A remark on the disconnected nature of Lagrange equations in the context of a linear-scaling implementation of the coupled-cluster energy gradients
Author:
Affiliation:
1. a Quantum Theory Project, University of Florida , Gainesville , FL, 32611 , USA
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2012.679639
Reference71 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
5. Many-body perturbation theory, coupled-pair many-electron theory, and the importance of quadruple excitations for the correlation problem
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1. Coupled-cluster Green's function: Analysis of properties originating in the exponential parametrization of the ground-state wave function;Physical Review A;2016-12-23
2. Scale-adaptive tensor algebra for local many-body methods of electronic structure theory;International Journal of Quantum Chemistry;2014-07-07
3. Algebraic connectivity analysis in molecular electronic structure theory II: total exponential formulation of second-quantised correlated methods;Molecular Physics;2013-06-26
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