Calculation of Linear and Non-linear Electric Response Properties of Systems in Aqueous Solution: A Polarizable Quantum/Classical Approach with Quantum Repulsion Effects-Reference-Cited by-同舟云学术

Calculation of Linear and Non-linear Electric Response Properties of Systems in Aqueous Solution: A Polarizable Quantum/Classical Approach with Quantum Repulsion Effects

Published:2020-10-15 Issue:11 Volume:16 Page:6993-7004
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Marrazzini Gioia¹,Giovannini Tommaso²^ORCID,Egidi Franco¹^ORCID,Cappelli Chiara¹^ORCID

Affiliation:

1. Scuola Normale Superiore, Piazza dei Cavalieri 7, Pisa 56126, Italy

2. Department of Chemistry, Norwegian University of Science and Technology, Trondheim 7491, Norway

Funder

Norges Forskningsr?d

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00674

Reference95 articles.

1. Nonlinear multiphoton processes in organic and polymeric materials

2. On the Calculation of Local Field Factors for Microscopic Static Hyperpolarizabilities of Molecules in Solution with the Aid of Quantum-Mechanical Methods

3. An Attempt To Bridge the Gap between Computation and Experiment for Nonlinear Optical Properties: Macroscopic Susceptibilities in Solution

4. Non-linear optical properties of molecules in heterogeneous environments: a quadratic density functional/molecular mechanics response theory

5. Stereoelectronic, Vibrational, and Environmental Contributions to Polarizabilities of Large Molecular Systems: A Feasible Anharmonic Protocol

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