Angela D. Rabuck, Ph.D.

Quantum Chemistry

Gustavo E. Scuseria	grad student	2003	Rice University
(The implementation and optimization of fractional orbital occupations in density functional theory.)

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Bettinger HF, Rabuck AD, Scuseria GE, et al. (2002) Pathways for the thermally induced dehydrogenation of C60H2 Chemical Physics Letters. 360: 509-514
Rabuck AD, Scuseria GE. (2000) Performance of recently developed kinetic energy density functionals for the calculation of hydrogen binding strengths and hydrogen-bonded structures Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). 104: 439-444
Rabuck AD, Scuseria GE. (2000) Performance of recently developed kinetic energy density functionals for the calculation of hydrogen binding strengths and hydrogen-bonded structures Theoretical Chemistry Accounts. 104: 439-444
Rabuck AD, Scuseria GE. (1999) Improving self-consistent field convergence by varying occupation numbers The Journal of Chemical Physics. 110: 695-700
Rabuck AD, Scuseria GE. (1999) Assessment of recently developed density functionals for the calculation of enthalpies of formation in challenging cases Chemical Physics Letters. 309: 450-456
Rabuck AD, Scuseria GE. (1999) Assessment of recently developed density functionals for the calculation of enthalpies of formation in challenging cases Chemical Physics Letters. 309: 450-456