P
P.C. Hariharan
Researcher at Carnegie Mellon University
Publications - 1
Citations - 1964
P.C. Hariharan is an academic researcher from Carnegie Mellon University. The author has contributed to research in topics: Wave function & Bond length. The author has an hindex of 1, co-authored 1 publications receiving 1861 citations.
Papers
More filters
Journal ArticleDOI
Accuracy of AH n equilibrium geometries by single determinant molecular orbital theory
P.C. Hariharan,John A. Pople +1 more
TL;DR: In this paper, a simple level of ab initio molecular orbital theory with a split-valence shell basis with d-type polarization functions was used to predict equilibrium geometries for the ground and some low-lying excited states of AHn molecules and cations where A is carbon, nitrogen, oxygen or fluorine.