Advances in Modeling of Physical Systems Using Explicitly Correlated Gaussian Functions

Persistent Link:
http://hdl.handle.net/10150/594645
Title:
Advances in Modeling of Physical Systems Using Explicitly Correlated Gaussian Functions
Author:
Kirnosov, Nikita
Issue Date:
2015
Publisher:
The University of Arizona.
Rights:
Copyright © is held by the author. Digital access to this material is made possible by the University Libraries, University of Arizona. Further transmission, reproduction or presentation (such as public display or performance) of protected items is prohibited except with permission of the author.
Abstract:
In this dissertation recent advances in modeling various atomic and molecular systems with quantum mechanical calculations employing explicitly correlated Gaussian functions are presented. The author has utilized multiple approaches and considered a number of approximations to develop optimal calculation frameworks. Electronic and muonic molecules and atoms have been considered. A number of unique calculations have been performed and some novel and interesting results, including high accuracy description of the charge asymmetry in the heteronuclear systems and lifetimes of rotationless vibrational levels of diatomic molecules, have been generated.
Type:
text; Electronic Dissertation
Keywords:
muonic systems; non-Born-Oppenheimer; variational calculations; Physics; high accuracy
Degree Name:
Ph.D.
Degree Level:
doctoral
Degree Program:
Graduate College; Physics
Degree Grantor:
University of Arizona
Advisor:
Adamowicz, Ludwik

Full metadata record

DC FieldValue Language
dc.language.isoen_USen
dc.titleAdvances in Modeling of Physical Systems Using Explicitly Correlated Gaussian Functionsen_US
dc.creatorKirnosov, Nikitaen
dc.contributor.authorKirnosov, Nikitaen
dc.date.issued2015en
dc.publisherThe University of Arizona.en
dc.rightsCopyright © is held by the author. Digital access to this material is made possible by the University Libraries, University of Arizona. Further transmission, reproduction or presentation (such as public display or performance) of protected items is prohibited except with permission of the author.en
dc.description.abstractIn this dissertation recent advances in modeling various atomic and molecular systems with quantum mechanical calculations employing explicitly correlated Gaussian functions are presented. The author has utilized multiple approaches and considered a number of approximations to develop optimal calculation frameworks. Electronic and muonic molecules and atoms have been considered. A number of unique calculations have been performed and some novel and interesting results, including high accuracy description of the charge asymmetry in the heteronuclear systems and lifetimes of rotationless vibrational levels of diatomic molecules, have been generated.en
dc.typetexten
dc.typeElectronic Dissertationen
dc.subjectmuonic systemsen
dc.subjectnon-Born-Oppenheimeren
dc.subjectvariational calculationsen
dc.subjectPhysicsen
dc.subjecthigh accuracyen
thesis.degree.namePh.D.en
thesis.degree.leveldoctoralen
thesis.degree.disciplineGraduate Collegeen
thesis.degree.disciplinePhysicsen
thesis.degree.grantorUniversity of Arizonaen
dc.contributor.advisorAdamowicz, Ludwiken
dc.contributor.committeememberAdamowicz, Ludwiken
dc.contributor.committeememberAnderson, Brian P.en
dc.contributor.committeememberLebed, Andreien
dc.contributor.committeememberManne, Srinivasen
dc.contributor.committeememberMonti, Oliver M.en
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