Interatomic potentials of the heavy van der Waals dimer Hg2: A “test-bed” for theory-to-experiment agreement.
Saved in:
| Title: | Interatomic potentials of the heavy van der Waals dimer Hg2: A “test-bed” for theory-to-experiment agreement. |
|---|---|
| Authors: | Krośnicki, M.1, Strojecki, M.2, Urbańczyk, T.3, Pashov, A.4, Koperski, J.3 ufkopers@cyf-kr.edu.pl |
| Source: | Physics Reports. Aug2015, Vol. 591, p1-31. 31p. |
| Subjects: | Interatomic angles, Van der Waals forces, Dimers, Mercury (Element), Energy levels (Quantum mechanics), Perturbation theory |
| Abstract: | New ab initio and revisited experimental studies of the interatomic potentials of ungerade excited and ground electronic energy states of the heavy van der Waals (vdW) dimer Hg 2 were used as a “test-bed” for theory-to-experiment comparisons. Representations of the lowest excited- and ground-state Hg 2 interatomic potentials were proposed, by using a new analytical approach as well as by using an inverted perturbation approach (IPA). The comparison of the new ab-initio calculated potentials with the results of the analyses illustrates an improved theory-to-experiment agreement for demanding heavy systems such as Hg 2 . [ABSTRACT FROM AUTHOR] |
| Copyright of Physics Reports is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
| FullText | Text: Availability: 0 |
|---|---|
| Header | DbId: egs DbLabel: Engineering Source An: 108985785 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
| IllustrationInfo | |
| Items | – Name: Title Label: Title Group: Ti Data: Interatomic potentials of the heavy van der Waals dimer Hg2: A “test-bed” for theory-to-experiment agreement. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Krośnicki%2C+M%2E%22">Krośnicki, M.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Strojecki%2C+M%2E%22">Strojecki, M.</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Urbańczyk%2C+T%2E%22">Urbańczyk, T.</searchLink><relatesTo>3</relatesTo><br /><searchLink fieldCode="AR" term="%22Pashov%2C+A%2E%22">Pashov, A.</searchLink><relatesTo>4</relatesTo><br /><searchLink fieldCode="AR" term="%22Koperski%2C+J%2E%22">Koperski, J.</searchLink><relatesTo>3</relatesTo><i> ufkopers@cyf-kr.edu.pl</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Physics+Reports%22">Physics Reports</searchLink>. Aug2015, Vol. 591, p1-31. 31p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Interatomic+angles%22">Interatomic angles</searchLink><br /><searchLink fieldCode="DE" term="%22Van+der+Waals+forces%22">Van der Waals forces</searchLink><br /><searchLink fieldCode="DE" term="%22Dimers%22">Dimers</searchLink><br /><searchLink fieldCode="DE" term="%22Mercury+%28Element%29%22">Mercury (Element)</searchLink><br /><searchLink fieldCode="DE" term="%22Energy+levels+%28Quantum+mechanics%29%22">Energy levels (Quantum mechanics)</searchLink><br /><searchLink fieldCode="DE" term="%22Perturbation+theory%22">Perturbation theory</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: New ab initio and revisited experimental studies of the interatomic potentials of ungerade excited and ground electronic energy states of the heavy van der Waals (vdW) dimer Hg 2 were used as a “test-bed” for theory-to-experiment comparisons. Representations of the lowest excited- and ground-state Hg 2 interatomic potentials were proposed, by using a new analytical approach as well as by using an inverted perturbation approach (IPA). The comparison of the new ab-initio calculated potentials with the results of the analyses illustrates an improved theory-to-experiment agreement for demanding heavy systems such as Hg 2 . [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Physics Reports is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=egs&AN=108985785 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1016/j.physrep.2015.06.004 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 31 StartPage: 1 Subjects: – SubjectFull: Interatomic angles Type: general – SubjectFull: Van der Waals forces Type: general – SubjectFull: Dimers Type: general – SubjectFull: Mercury (Element) Type: general – SubjectFull: Energy levels (Quantum mechanics) Type: general – SubjectFull: Perturbation theory Type: general Titles: – TitleFull: Interatomic potentials of the heavy van der Waals dimer Hg2: A “test-bed” for theory-to-experiment agreement. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Krośnicki, M. – PersonEntity: Name: NameFull: Strojecki, M. – PersonEntity: Name: NameFull: Urbańczyk, T. – PersonEntity: Name: NameFull: Pashov, A. – PersonEntity: Name: NameFull: Koperski, J. IsPartOfRelationships: – BibEntity: Dates: – D: 20 M: 08 Text: Aug2015 Type: published Y: 2015 Identifiers: – Type: issn-print Value: 03701573 Numbering: – Type: volume Value: 591 Titles: – TitleFull: Physics Reports Type: main |
| ResultId | 1 |
