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Publications by Susi Lehtola
An Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple Yet Efficient
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Complex Orbitals, Multiple Local Minima, and Symmetry Breaking in Perdew–Zunger Self-Interaction Corrected Density Functional Theory Calculations
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
A Review on Non‐relativistic, Fully Numerical Electronic Structure Calculations on Atoms and Diatomic Molecules
International Journal of Quantum Chemistry
Condensed Matter Physics
Molecular Physics,
Theoretical Chemistry
Atomic
Optics
Physical
Fully Numerical Hartree‐Fock and Density Functional Calculations. II. Diatomic Molecules
International Journal of Quantum Chemistry
Condensed Matter Physics
Molecular Physics,
Theoretical Chemistry
Atomic
Optics
Physical
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