• 1074 Citations
  • 19 h-Index
20052021
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  • 10 Similar Profiles
Density functional theory Chemical Compounds
density functional theory Physics & Astronomy
Discrete Fourier transforms Chemical Compounds
embedding Physics & Astronomy
potential energy Physics & Astronomy
Charge transfer Chemical Compounds
Electrons Chemical Compounds
Molecules Chemical Compounds

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Projects 2014 2021

Discrete Fourier transforms
Computational chemistry
Quantum chemistry
Photovoltaic cells
Quantum theory
Oxides
Aluminum Oxide
Electrons
Catalysis
Metals

Research Output 2005 2019

  • 1074 Citations
  • 19 h-Index
  • 54 Article
  • 2 Review article
  • 1 Chapter
2 Citations (Scopus)
Ionization potential
Discrete Fourier transforms
ionization potentials
embedding
Impurities
2 Citations (Scopus)

Low-lying excited states by constrained DFT

Ramos, P. & Pavanello, M., Apr 14 2018, In : Journal of Chemical Physics. 148, 14, 144103.

Rutgers, The State University

Research output: Contribution to journalArticle

Excited states
Discrete Fourier transforms
excitation
Density functional theory
intersections
2 Citations (Scopus)

Models of Surface Morphology and Electronic Structure of Indium Oxide and Indium Tin Oxide for Several Surface Hydroxylation Levels

Harrell, J., Acikgoz, M., Lieber Sasson, H., Visoly-Fisher, I., Genova, A. & Pavanello, M., Jan 11 2018, In : Journal of Physical Chemistry C. 122, 1, p. 584-595 12 p.

Rutgers, The State University

Research output: Contribution to journalArticle

Hydroxylation
Tin oxides
indium oxides
Indium
tin oxides
7 Citations (Scopus)

Nonlocal kinetic energy functionals by functional integration

Mi, W., Genova, A. & Pavanello, M., May 14 2018, In : Journal of Chemical Physics. 148, 18, 184107.

Rutgers, The State University

Research output: Contribution to journalArticle

functional integration
functionals
Kinetic energy
kinetic energy
density functional theory

Probing charge transfer dynamics in a single iron tetraphenylporphyrin dyad adsorbed on an insulating surface

Ramos, P., Mankarious, M., Pavanello, M. & Riedel, D., Oct 7 2018, In : Nanoscale. 10, 37, p. 17603-17616 14 p.

Rutgers, The State University

Research output: Contribution to journalArticle

Charge transfer
Iron
Molecules
iron tetraphenylporphyrin
Excited states