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Literature DB >> 22220988

Multireference nature of chemistry: the coupled-cluster view.

Dmitry I Lyakh¹, Monika Musiał, Victor F Lotrich, Rodney J Bartlett.

Abstract

Year: 2011 PMID： 22220988 DOI： 10.1021/cr2001417

Source DB: PubMed Journal: Chem Rev ISSN： 0009-2665 Impact factor: 60.622

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16 in total

1. Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities.

Authors: Konstantinos D Vogiatzis; Mikhail V Polynski; Justin K Kirkland; Jacob Townsend; Ali Hashemi; Chong Liu; Evgeny A Pidko
Journal: Chem Rev Date: 2018-10-30 Impact factor: 60.622

2. A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves.

Authors: Emmanuel Giner; Celestino Angeli; Yann Garniron; Anthony Scemama; Jean-Paul Malrieu
Journal: J Chem Phys Date: 2017-06-14 Impact factor: 3.488

3. Deep-neural-network solution of the electronic Schrödinger equation.

Authors: Jan Hermann; Zeno Schätzle; Frank Noé
Journal: Nat Chem Date: 2020-09-23 Impact factor: 24.427

4. The thermochemistry of london dispersion-driven transition metal reactions: getting the 'right answer for the right reason'.

Authors: Andreas Hansen; Christoph Bannwarth; Stefan Grimme; Predrag Petrović; Christophe Werlé; Jean-Pierre Djukic
Journal: ChemistryOpen Date: 2014-09-04 Impact factor: 2.911

Multireference nature of chemistry: the coupled-cluster view.

1. Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities.

2. A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves.

3. Deep-neural-network solution of the electronic Schrödinger equation.

4. The thermochemistry of london dispersion-driven transition metal reactions: getting the 'right answer for the right reason'.

Review 5. Quantum-Chemical Insights into the Self-Assembly of Carbon-Based Supramolecular Complexes.

6. Numerical and Theoretical Aspects of the DMRG-TCC Method Exemplified by the Nitrogen Dimer.

7. Single-Root Multireference Brillouin-Wigner Perturbative Approach to Excitation Energies.

8. Benchmarking Adaptive Variational Quantum Eigensolvers.

9. Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems.

10. Real-time tracking of the entangled pathways in the multichannel photodissociation of acetaldehyde.