Pere Constans

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Research Interests:

Quantum Chemistry
Numerical Algorithms
Molecular and Macromolecular Similarity

Selected & Recent Publications:

P. Constans and G. E. Scuseria. The Laplace transform perturbative triples correction ansatz. (submitted, Collection of Czechoslovak Chemical Communications).

P. Constans. Linear Scaling Approaches to Quantum Macromolecular Similarity: Evaluating the Similarity Function. Journal of Computational Chemistry, 23, 1305-1313 (2002).

P. Constans, P. Y. Ayala, and G. E. Scuseria. Scaling reduction of the perturbative triples correction (T) to coupled cluster theory via Laplace transform formalism. Journal of Chemical Physics, 113, 10451-10458 (2000).

P. Constans, L. Amat, and R. Carbó-Dorca. Toward a global maximization of the molecular similarity function: Superposition of two molecules. Journal of Computational Chemistry, 18, 826-846 (1997).

P. Constans and R. Carbó. Atomic Shell Approximation: Electron density fitting algorithm restricting coefficients to positive values. Journal of Chemical Information and Computer Sciences, 35, 1046-1053 (1995).

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