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Publications by F. Pascale
Calculation of the Infrared Intensity of Crystalline Systems. A Comparison of Three Strategies Based on Berry Phase, Wannier Function, and Coupled-Perturbed Kohn–Sham Methods
Journal of Physical Chemistry C
Surfaces
Energy
Nanoscience
Theoretical Chemistry
Optical
Magnetic Materials
Films
Nanotechnology
Electronic
Coatings
Physical
Infezione Da Listeria Monocytogenes in Gravidanza E Sepsi Del Neonato
Microbiologia Medica
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Comparison of Ab Initio Hartree−Fock and Kohn−Sham Orbitals in the Calculation of Atomic Charge, Bond Index, and Valence
Journal of Physical Chemistry A
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Ab Initio Analytical Raman Intensities for Periodic Systems Through a Coupled Perturbed Hartree-Fock/Kohn-Sham Method in an Atomic Orbital Basis. I. Theory
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
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Bypassing the Kohn-Sham Equations With Machine Learning
Nature Communications
Astronomy
Genetics
Molecular Biology
Biochemistry
Chemistry
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On Atoms-In-Molecules Energies From Kohn-Sham Calculations
ChemPhysChem
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Flux Calculation of Short Turbulent Events &Amp;ndash; Comparison of Three Methods
Atmospheric Measurement Techniques
Atmospheric Science
Lorentz Invariant Berry Phase for a Perturbed Relativistic Four Dimensional Harmonic Oscillator
Foundations of Physics
Astronomy
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Magnetic Thomas-Fermi-Weizsäcker Model for Quantum Dots: A Comparison With Kohn-Sham Ground States
European Physical Journal D
Optics
Atomic
Molecular Physics,
Augmented Phase Reduction of (Not So) Weakly Perturbed Coupled Oscillators
SIAM Review
Computational Mathematics
Applied Mathematics
Theoretical Computer Science
Interpretation of the Kohn–Sham Orbital Energies as Approximate Vertical Ionization Potentials
Journal of Chemical Physics
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Theoretical Chemistry
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