Efficient Structural Relaxation Based on the Random Phase Approximation: Applications to Water Clusters-Reference-Cited by-同舟云学术

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Efficient Structural Relaxation Based on the Random Phase Approximation: Applications to Water Clusters

Published:2024-09-06 Issue: Volume: Page:
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Tahir Muhammad N.¹,Shang Honghui²^ORCID,Li Jia³^ORCID,Ren Xinguo¹^ORCID

Affiliation:

1. Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China

2. University of Science and Technology of China, Hefei 230026, China

3. Shenzhen Geim Graphene Center and Institute of Materials Research, Tsinghua Shenzhen International Graduate School, Tsinghua University, Shenzhen 518055, China

Funder

National Key Research and Development Program of China

National Natural Science Foundation of China

Chinese Academy of Sciences

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.4c02411

Reference71 articles.

1. Water: From Clusters to the Bulk

2. How Water’s Properties Are Encoded in Its Molecular Structure and Energies

3. Lowest-Energy Structures of Water Clusters (H2O)11 and (H2O)13

4. Comparison of simple potential functions for simulating liquid water

5. Development of transferable interaction potentials for water. V. Extension of the flexible, polarizable, Thole-type model potential (TTM3-F, v. 3.0) to describe the vibrational spectra of water clusters and liquid water

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