An improved ground state wavefunction for helium for use in density matrix calculations, 1972

Item — Call Number: MU Thesis Bar

Identifier: b2088644

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: 1972

Creator

Barr, William C. (William Chalmers) (1930-2001) (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) : 50 pages ; 8.5 x 11.0 inches (28 cm).

Language of Materials

English

Additional Description

Abstract

An improved ground state wavefunction for Helium for use in density matrix calculations has been obtained. This improvement was achieved by the introduction into the expansion for the singlet S-state wavefunction for Helium, of a term containing explicit angular dependence. This angular term was constructed so as to preserve angular momentum symmetry by being an eigenfunction of the two-particle, angular momentum operator with eigenvalue zero, as is required for S-states. The results give a Helium ground state energy of -2.89839 atomic units, which when compared to the experimental ground state energy of -2.90732 atomic units, is in error by 0.184%.

Partial Contents

Abstract -- Contents -- Acknowledgement -- 1. Introduction -- 2. The reduced Hamiltonian -- 3. The Rayleigh-Ritz variational principle -- 4. The reduced density matrix variational pronciple -- 5. Proof of the relation ... -- 6. Calculation of matrix elements -- 7. Results -- 8. Conclusions -- Appendix I -- Appendix II -- References.