Dr. Rodnej J. Bartlett from Quantum Theory Project at University of Florida
will present a talk "ACES II: A Program System for Molecular Electronic
Structure and Spectra" on Tuesday, Jan. 15, 1991, 3:30pm, at Ohio
Center, 1224 Kinnear Rd., Columbus, OH 43212-1163, room 405 (classrom).
The selection from the announcement follows:
Coupled-cluster theory offers some of the most accurate, ab initio correlated
results for molecules available. Our new program system, Advanced Concepts
in Electronic Structure II provides powerful CC/MBPT methods for energies,
structures, vibrational, electronic and photoelectronic spectra, and
molecular properties in an extremely efficient, vectorized program. I will
illustrate some of the new many-body methods we have recently developed and
that are uniquely available in ACES II by considering some chemically
interesting problems that could not be solved with other program systems.
The primary authors of this program are Bartlett group members:
Dr. John Stanton, Dr. Jurgen Gauss, Dr. John Watts, Dr. Magnus Ritthy and
Mr Walt Lauderdale.