Calculation of lower bounds to the ground state energy of the C⁺⁺ ion utilizing the technique of reduced density matrices subject to continuously variable N-representability constraints, 1974

Item — Call Number: MU Thesis Gor

Identifier: b2088648

Staff Only

Scope and Contents

From the Collection:

The collection consists of theses written by students enrolled in the Monmouth College graduate Physics program. The holdings are bound print documents that were submitted in partial fulfillment of requirements for the Master of Science degree.

Dates

Creation: 1974

Creator

Gorman, Hal J. (Author, Person)
Kijewski, Louis J. (Louis Joseph) (1936-2018) (Thesis advisor, Person)

Conditions Governing Access

The collection is open for research use. Access is by appointment only.

Access to the collection is confined to the Monmouth University Library and is subject to patron policies approved by the Monmouth University Library.

Collection holdings may not be borrowed through interlibrary loan.

Research appointments are scheduled by the Monmouth University Library Archives Collections Manager (723-923-4526). A minimum of three days advance notice is required to arrange a research appointment for access to the collection.

Patrons must complete a Researcher Registration Form and provide appropriate identification to gain access to the collection holdings. Copies of these documents will be kept on file at the Monmouth University Library.

Extent

1 Items (print book) : 92 pages ; 8.5 x 11.0 inches (28 cm).

Language of Materials

English

Additional Description

Abstract

A recently developed theory enabling the construction of density matrices which are expressible in terms of a given spin geminal set and which are a nearly N-representable as possible is discussed.

Calculation of lower bounds to the ground state energy of the C⁺⁺ ion is performed utilizing reduced density matrices subject to the continuously variable N-representability constraint determined by the above mentioned theory.

Partial Contents

1. Introduction -- 2. Theoretical development of T matrix condition -- 3. Practical utlilty of T matrix condition -- 4. Sequential unconstrained minimization -- 5. Development of the energy equation with constraints -- 6. Application of theory to C⁺⁺ -- 7. Computer results and conclusions -- References -- Appendix I.