P. Hoggan

activity

20102025

most citedThe use of Slater-type spinor orbitals in algebraic solution of two-center Dirac equation

12 citations · 36 across the 23 of their papers we have counts for

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Showing 2010Show all

2 papers · 1 filter

physics.chem-ph2010

Quantum Monte Carlo calculations of electronic excitation energies: the case of the singlet $n \to π^{*}$ (CO) transition in acrolein

Julien Toulouse, Michel Caffarel, Peter Reinhardt +2

We report state-of-the-art quantum Monte Carlo calculations of the singlet $n \to π^{*}$ (CO) vertical excitation energy in the acrolein molecule, extending the recent study of Bouab…

quant-ph2010

How specific exponential type orbitals recently became a viable basis set choice in NMR shielding tensor calculation

Philip E. Hoggan

This paper advocates use of the atomic orbitals which have direct physical interpretation, i.e. Coulomb Sturmians and hydrogen-like orbitals. They are exponential type orbitals (ET…

Quantum Monte Carlo calculations of electronic excitation energies: the case of the singlet n→π∗ (CO) transition in acrolein

How specific exponential type orbitals recently became a viable basis set choice in NMR shielding tensor calculation

Quantum Monte Carlo calculations of electronic excitation energies: the case of the singlet $n \to π^{*}$ (CO) transition in acrolein