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Coupled cluster and many body perturbation techniques

Quantum theoretical and computational methods are developed and refined in order to perform efficient calculations of the electronic structure of atoms and molecules. Our main interest has been in coupled cluster and the closely related many-body perturbation theoretical techniques.

"Photoelectron Spectroscopic and Theoretical Study of Ketene Imine CH₂=C=NH and Ketene N-Methylimine CH₂=C=NCH₃" (with H.W. Kroto, G.Y. Matti, R.J. Suffolk, J. Watts, and R.J. Bartlett), J. Am. Chem. Soc. 112, 3779 (1990).

"Low-lying Isomers of the Chlorine Oxide Dimer: A Theoretical Study" (with J.F. Stanton, R.J. Bartlett, and D.W. Toohey), J. Phys. Chem. 95, 2107 (1991).

"Fock Space Multireference Coupled-Cluster Theory for General Single Determinant Reference Functions" (with J.F. Stanton and R.J. Bartlett), J. Chem. Phys. 97, 5560 (1992).


		C. Magnus L. Rittby
	Rittby home Curriculum vitae (PDF) Contact Information Department Home Page College Home Page TCU Home Page my.tcu.edu	Coupled cluster and many body perturbation techniques Quantum theoretical and computational methods are developed and refined in order to perform efficient calculations of the electronic structure of atoms and molecules. Our main interest has been in coupled cluster and the closely related many-body perturbation theoretical techniques. "Photoelectron Spectroscopic and Theoretical Study of Ketene Imine CH₂=C=NH and Ketene N-Methylimine CH₂=C=NCH₃" (with H.W. Kroto, G.Y. Matti, R.J. Suffolk, J. Watts, and R.J. Bartlett), J. Am. Chem. Soc. 112, 3779 (1990). "Low-lying Isomers of the Chlorine Oxide Dimer: A Theoretical Study" (with J.F. Stanton, R.J. Bartlett, and D.W. Toohey), J. Phys. Chem. 95, 2107 (1991). "Fock Space Multireference Coupled-Cluster Theory for General Single Determinant Reference Functions" (with J.F. Stanton and R.J. Bartlett), J. Chem. Phys. 97, 5560 (1992).
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