Can I read A Theoretical Study of Small Silicon Clusters Using an Effective Core Potential on EtoBox?

A Theoretical Study of Small Silicon Clusters Using an Effective Core Potential by Celeste McMichael Rohlfing; Krishnan Raghavachari is a Physics and Astronomy article available to read on EtoBox.

What is A Theoretical Study of Small Silicon Clusters Using an Effective Core Potential about?

The structures and energies of small silicon clusters are investigated using an effective core potential (BCP), a double-zeta polarized basis set, and fourth-order Mlaller-Plesset perturbation theory. Excellent agreement is obtained with the results of recent all-electron calculations of Sit-Sin,. The ECP is used to examine Si, ,, which has not been previously characterized. The lowest energy structure of Sir, is found to be a distorted pentacapped trigonal prism, which offers further growth possibilities.

Who reads A Theoretical Study of Small Silicon Clusters Using an Effective Core Potential?

Author

Celeste McMichael Rohlfing; Krishnan Raghavachari

Publisher

Elsevier Science; Elsevier ; Elsevier BV (ISSN 0009-2614)

Published

1990

Language

EN

Field

Physics and Astronomy (Physical Sciences)