Capturing nuclear quantum effects in high-pressure superconducting hydrides and ice with nuclear-electronic orbital theory.
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| Title: | Capturing nuclear quantum effects in high-pressure superconducting hydrides and ice with nuclear-electronic orbital theory. |
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| Authors: | Smith LE; Department of Chemistry, Princeton University, Princeton, NJ 08544., Settembri P; PSI Center for Scientific Computing, Theory and Data, Paul Scherrer Institute, Villigen PSI 5232, Switzerland.; Department of Physical and Chemical Sciences, University of L'Aquila, L'Aquila 67100, Italy., Cucciari A; Dipartimento di Fisica, Sapienza - Università di Roma, Roma 00185, Italy., Boeri L; Dipartimento di Fisica, Sapienza - Università di Roma, Roma 00185, Italy., Profeta G; Department of Physical and Chemical Sciences, University of L'Aquila, L'Aquila 67100, Italy.; CNR-SPIN L'Aquila, L'Aquila 67100, Italy., Hammes-Schiffer S; Department of Chemistry, Princeton University, Princeton, NJ 08544. |
| Source: | Proceedings of the National Academy of Sciences of the United States of America [Proc Natl Acad Sci U S A] 2026 May 26; Vol. 123 (21), pp. e2605545123. Date of Electronic Publication: 2026 May 21. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: National Academy of Sciences Country of Publication: United States NLM ID: 7505876 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1091-6490 (Electronic) Linking ISSN: 00278424 NLM ISO Abbreviation: Proc Natl Acad Sci U S A Subsets: MEDLINE; PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
| ISSN: | 1091-6490 |
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| DOI: | 10.1073/pnas.2605545123 |
