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Defect calculations in semiconductors through a dielectric-dependent hybrid DFT functional: The case of oxygen vacancies in metal oxides

The Journal of chemical physics, 2015-10, Vol.143 (13), p.134702-134702

2015

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Electronic excitations: density-functional versus many-body Green’s-function approaches

Reviews of modern physics, 2002-06, Vol.74 (2), p.601-659

2002

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Ab Initio Electronic, Magnetic, and Optical Properties of Fe Phthalocyanine on Cr2O3(0001)

Molecules (Basel, Switzerland), 2024-06, Vol.29 (12), p.2889

2024

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Communication: Hole localization in Al-doped quartz SiO2 within ab initio hybrid-functional DFT

The Journal of chemical physics, 2015-09, Vol.143 (11), p.111103-111103

2015

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Electronic States of Silicene Allotropes on Ag(111)

ACS nano, 2017-01, Vol.11 (1), p.975-982

2017

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GeVn complexes for silicon-based room-temperature single-atom nanoelectronics

Scientific reports, 2018-12, Vol.8 (1), p.18054-18054, Article 18054

2018

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Position‐Controlled Functionalization of Vacancies in Silicon by Single‐Ion Implanted Germanium Atoms

Advanced functional materials, 2021-05, Vol.31 (21), p.n/a

2021

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Ab Initio Spectroscopic Investigation of Pharmacologically Relevant Chiral Molecules: The Cases of Avibactam, Cephems, and Idelalisib as Benchmarks for Antibiotics and Anticancer Drugs

Symmetry (Basel), 2021-04, Vol.13 (4), p.601

2021

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Excitonic effects in solids described by time-dependent density-functional theory

Physical review letters, 2002-02, Vol.88 (6), p.066404-066404, Article 066404

2002

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Synthesis, Characterization, and Modeling of Naphthyl-Terminated sp Carbon Chains: Dinaphthylpolyynes

The journal of physical chemistry. B, 2010-11, Vol.114 (46), p.14834-14841

2010

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Long-range contribution to the exchange-correlation kernel of time-dependent density functional theory

Physical review. B, Condensed matter and materials physics, 2004-04, Vol.69 (15), Article 155112

2004

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Scanning tunneling microscopy and Raman spectroscopy of polymeric sp–sp2 carbon atomic wires synthesized on the Au(111) surface

Nanoscale, 2019-01, Vol.11 (39), p.18191-18200

2019

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Optical properties of shortest-width zig-zag silicene nano-ribbons: Effects of local fields

Micro and Nano Engineering, 2018-11, Vol.1, p.37-41

2018

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Fingerprints of sp¹ Hybridized C in the Near-Edge X-ray Absorption Spectra of Surface-Grown Materials

Materials, 2018-12, Vol.11 (12), p.2556

2018

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Electronic structure and phase stability of oxide semiconductors: Performance of dielectric-dependent hybrid functional DFT, benchmarked against GW band structure calculations and experiments

Physical review. B, Condensed matter and materials physics, 2015-04, Vol.91 (15)

2015

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Optical properties of BN in cubic and layered hexagonal phases

Physical review. B, Condensed matter, 2001-07, Vol.64 (3), Article 035104

2001

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Ab Initio Electronic, Magnetic, and Optical Properties of Fe Phthalocyanine on Cr[sub.2]O[sub.3]

Molecules (Basel, Switzerland), 2024-06, Vol.29 (12)

2024

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Anisotropic Effects of Oxygen Vacancies on Electrochromic Properties and Conductivity of γ‑Monoclinic WO3

Journal of physical chemistry. C, 2016-06, Vol.120 (21), p.11716-11726

2016

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Tailoring the magnetic ordering of the Cr 4 O 5 /Fe(001) surface via a controlled adsorption of C 60 organic molecules

Physical chemistry chemical physics : PCCP, 2021-04, Vol.23 (13), p.7948-7954

2021

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Tailoring the magnetic ordering of the CrO/Fe(001) surface a controlled adsorption of C organic molecules

Physical chemistry chemical physics : PCCP, 2021-04, Vol.23 (13), p.7948-7954

2021

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Eumelanin Adsorption on Silicon: Optical Properties of Si(001)-Adsorbed Eumelanin Tetrameric Protomolecules

Journal of physical chemistry. C, 2020-04, Vol.124 (17), p.9376-9384

2020

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Tailoring the magnetic ordering of the Cr4O5/Fe(001) surface via a controlled adsorption of C60 organic molecules

Physical chemistry chemical physics : PCCP, 2021-01, Vol.23 (13), p.7948-7954

2021

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Double excitations in correlated systems: A many-body approach

The Journal of chemical physics, 2011-01, Vol.134 (3), p.034124-034124-10

2011

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Extensive stacking of DHI-like monomers as a model of out-of-plane complexity in eumelanin protomolecules: Chemical and structural sensitivity of optical absorption spectra

Chemical physics, 2019-08, Vol.524, p.92-100

2019

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Quantum Spin Transport in Carbon Chains

ACS nano, 2010-09, Vol.4 (9), p.5174-5180

2010

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Defect calculations in semiconductors through a dielectric-dependent hybrid DFT functional: The case of oxygen vacancies in metal oxides

Electronic excitations: density-functional versus many-body Green’s-function approaches

Ab Initio Electronic, Magnetic, and Optical Properties of Fe Phthalocyanine on Cr2O3(0001)

Communication: Hole localization in Al-doped quartz SiO2 within ab initio hybrid-functional DFT

Electronic States of Silicene Allotropes on Ag(111)

GeVn complexes for silicon-based room-temperature single-atom nanoelectronics

Position‐Controlled Functionalization of Vacancies in Silicon by Single‐Ion Implanted Germanium Atoms

Ab Initio Spectroscopic Investigation of Pharmacologically Relevant Chiral Molecules: The Cases of Avibactam, Cephems, and Idelalisib as Benchmarks for Antibiotics and Anticancer Drugs

Excitonic effects in solids described by time-dependent density-functional theory

Synthesis, Characterization, and Modeling of Naphthyl-Terminated sp Carbon Chains: Dinaphthylpolyynes

Long-range contribution to the exchange-correlation kernel of time-dependent density functional theory

Scanning tunneling microscopy and Raman spectroscopy of polymeric sp–sp2 carbon atomic wires synthesized on the Au(111) surface

Optical properties of shortest-width zig-zag silicene nano-ribbons: Effects of local fields

Fingerprints of sp¹ Hybridized C in the Near-Edge X-ray Absorption Spectra of Surface-Grown Materials

Electronic structure and phase stability of oxide semiconductors: Performance of dielectric-dependent hybrid functional DFT, benchmarked against GW band structure calculations and experiments

Optical properties of BN in cubic and layered hexagonal phases

Ab Initio Electronic, Magnetic, and Optical Properties of Fe Phthalocyanine on Cr[sub.2]O[sub.3]

Anisotropic Effects of Oxygen Vacancies on Electrochromic Properties and Conductivity of γ‑Monoclinic WO3

Tailoring the magnetic ordering of the Cr 4 O 5 /Fe(001) surface via a controlled adsorption of C 60 organic molecules

Tailoring the magnetic ordering of the CrO/Fe(001) surface a controlled adsorption of C organic molecules

Eumelanin Adsorption on Silicon: Optical Properties of Si(001)-Adsorbed Eumelanin Tetrameric Protomolecules

Tailoring the magnetic ordering of the Cr4O5/Fe(001) surface via a controlled adsorption of C60 organic molecules

Double excitations in correlated systems: A many-body approach

Extensive stacking of DHI-like monomers as a model of out-of-plane complexity in eumelanin protomolecules: Chemical and structural sensitivity of optical absorption spectra

Quantum Spin Transport in Carbon Chains

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