Ulf Wahlgren
IBM
3 Papers
59 Citations
Ulf Wahlgren is an academic researcher from IBM. The author has contributed to research in topics: Ab initio & Hartree–Fock method. The author has an hindex of 3, co-authored 3 publications.
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Papers
Theoretical Support for the Assignment of X-ogen to the HCO+ Molecular Ion
TL;DR: The first unknown interstellar microwave line was reported in 1970 by Buhl and Snyder as discussed by the authors, who named this line the Xogen line and used it to detect the first unknown X-ogen line.
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An algorithm for the construction of fully symmetry adapted Fock matrices for molecular Hartree-Fock calculations
Paul S. Bagus,Ulf Wahlgren +1 more
TL;DR: Algorithms which permit the construction of fully symmetry adapted Fock matrices are presented for cases where the basis functions and integrals are obtained using only the symmetry of a subgroup of the full point group of the system.
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Ab initio SCF computation of force constants for CO2
TL;DR: In this article, the effect of SCF wave functions and geometry on the K 12 interaction stretch force constant for CO2 has been investigated, and it is shown that a large error occurs due to neglect of electron correlation.
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