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The European Physical Journal B, ISSN 1434-6028, 10/2018, Volume 91, Issue 10, pp. 1 - 7
This paper describes the application of time-dependent density functional theory (TDDFT) to explore dynamics in condensed matter driven by strong short laser... 
Condensed Matter Physics | Solid State Physics | Physics, general | Fluid- and Aerodynamics | Complex Systems | Physics | PHYSICS, CONDENSED MATTER | ENERGY | APPROXIMATION | DATABASE | GAS | DENSITY-FUNCTIONAL THEORY | EXCITED-STATES | MOLECULES | Density functionals | Specific gravity
Journal Article
AIP Advances, ISSN 2158-3226, 02/2019, Volume 9, Issue 2, pp. 25217 - 025217-4
Laser-patterning techniques are typically based on local-heating phenomena, whereas recently developed short-pulse lasers operating on the order of... 
ENERGY | PHYSICS, APPLIED | MATERIALS SCIENCE, MULTIDISCIPLINARY | NANOSCIENCE & NANOTECHNOLOGY | DENSITY-FUNCTIONAL THEORY | EXCITED-STATES | MOLECULES | Femtosecond | Time dependence | Simulation | Fluence | Lasers | Laser beam heating | Quartz | Crossovers
Journal Article
Journal of the Physical Society of Japan, ISSN 0031-9015, 04/2018, Volume 87, Issue 4, p. 041016
We review our recent developments in the ab initio simulation of excited-state dynamics within the framework of time-dependent density functional theory... 
Interlayers | Molecular dynamics | Real time | Dynamical systems | Rare gases | Collision dynamics | Molecules | Time dependence | Luminous intensity | Ultraviolet radiation | Condensed matter | Terahertz frequencies | Chemical bonds | Density functional theory | Two dimensional materials
Journal Article
SCIENTIFIC REPORTS, ISSN 2045-2322, 09/2019, Volume 9, Issue 1, pp. 12707 - 8
Despite the advanced understanding of combustion, the mechanisms of subsequent light emission have not attracted much attention. In this work, we model the... 
OXIDATION | GAS-PHASE | DYNAMICS | STATE | DENSITY-FUNCTIONAL APPROACH | MULTIDISCIPLINARY SCIENCES | Methane | Oxidation | Combustion | Energy | Kinetic energy
Journal Article
Journal of Applied Physics, ISSN 0021-8979, 09/2014, Volume 116, Issue 12
We examined the field emission properties of lithium(Li)/oxygen(O)-co-terminated diamond (001) surface [C(001)-LiO] through real-time electron dynamics... 
First principles | Negative electron affinity | Electron affinity | Emission analysis | Diamonds | Emitters (electron) | Lithium | Field emission | Electron emission | Bends | Diamond films | Electrons
Journal Article
AIP Conference Proceedings, ISSN 0094-243X, 2013, Volume 1568, Issue 1, pp. 40 - 42
Computational scheme for designing photovoltaic (PV) materials is presented. First-principles electron dynamics of photo-excitation and subsequent... 
carrier splitting | time-dependent density functional theory | photo-excitation | dipole moment | EXCITATION | DENSITY FUNCTIONAL METHOD | CRYSTALS | MATERIALS SCIENCE | PHOTOVOLTAIC EFFECT | SIMULATION | TIME DEPENDENCE | DIPOLE MOMENTS
Conference Proceeding
Geophysical Research Letters, ISSN 0094-8276, 09/2013, Volume 40, Issue 18, pp. 4922 - 4926
Journal Article
Journal of Materials Research, ISSN 0884-2914, 02/2013, Volume 28, Issue 4, pp. 558 - 563
Density functional theory, which can be used for simulating the properties of materials in the electronic ground state, was extended to time-dependent density... 
ELECTRON-GAS | MICROTUBULES | LASER | FIELD | MATERIALS SCIENCE, MULTIDISCIPLINARY | SYSTEMS | C-60 | DENSITY-FUNCTIONAL THEORY | Studies | Organic chemistry | Analysis | Nanotubes | Electronics | Materials research | Chemical synthesis | Encapsulation | Computer simulation | Lasers | Dynamics | Carbon nanotubes | Density functional theory | Nanostructure | Excitation
Journal Article
Applied Physics Letters, ISSN 0003-6951, 12/2017, Volume 111, Issue 25
The coherence of electron dynamics in medium-sized molecules was examined by real-time time-dependent density functional theory calculations coupled with... 
Potential energy | Anthracene | Dipoles | Interference | Hydrocarbons | Molecular dynamics | Time dependence | Naphthalene | Polycyclic aromatic hydrocarbons | Benzene | Ion motion | Coherence | Density functional theory
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 02/2012, Volume 85, Issue 8
Journal Article
Materials Research Society Symposium Proceedings, ISSN 0272-9172, 2012, Volume 1455, pp. 7 - 18
Conference Proceeding
Nature Communications, ISSN 2041-1723, 05/2010, Volume 1, Issue 2, pp. 1 - 5
The generation of spin-polarized electrons at room temperature is an essential step in developing semiconductor spintronic applications. To this end, we... 
SPINTRONICS | MULTIDISCIPLINARY SCIENCES
Journal Article
Scientific Reports, ISSN 2045-2322, 08/2015, Volume 5, Issue 1, p. 12882
Atomic-sized fluorescent defects in diamond are widely recognized as a promising solid state platform for quantum cryptography and quantum information... 
PHOTON EMISSION | DEFECTS | MULTIDISCIPLINARY SCIENCES | Temperature effects | Color | Luminescence | Information processing | Photons | Cryptography | Quantum theory | Crystal structure
Journal Article
Physical Review B, ISSN 1098-0121, 02/2012, Volume 85, Issue 8
Journal Article
Physical Review B, ISSN 1098-0121, 01/2012, Volume 85, Issue 3
Journal Article
PLoS ONE, ISSN 1932-6203, 08/2012, Volume 7, Issue 8, p. e44055
To evaluate the involvement of trafficking of alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid receptor (AMPAR) GluR2 and GluR3 subunits in an acute... 
DORSAL-HORN NEURONS | CORD | GLUTAMATE RECEPTORS | PHOSPHORYLATION | TEMPOROMANDIBULAR-JOINT | MULTIDISCIPLINARY SCIENCES | SIGNAL-REGULATED KINASE | TOOTH-PULP STIMULATION | HIPPOCAMPAL-NEURONS | SYNAPTIC PLASTICITY | NERVE LIGATION | Acute Pain - metabolism | Trigeminal Caudal Nucleus - metabolism | Behavior, Animal - physiology | Mice, Transgenic | Extracellular Signal-Regulated MAP Kinases - metabolism | Trigeminal Caudal Nucleus - drug effects | Facial Pain - physiopathology | Trigeminal Caudal Nucleus - physiopathology | Inflammation - metabolism | Animals | Acute Pain - physiopathology | Facial Pain - metabolism | 6-Cyano-7-nitroquinoxaline-2,3-dione - pharmacology | Behavior, Animal - drug effects | Mice | Nociceptors - metabolism | Phosphorylation - drug effects | Pain Measurement | Nociceptors - drug effects | Receptors, AMPA - metabolism | Inflammation - physiopathology | Pain | Neurons | Physiological aspects | Development and progression | Genetic aspects | Research | Gene expression | Phosphorylation | Spinal cord | Dental schools | Physicians | Trafficking | Glutamic acid receptors | Kinases | α-Amino-3-hydroxy-5-methyl-4-isoxazole propionic acid receptors | Formaldehyde | Proteins | Fos protein | α-Amino-3-hydroxy-5-methyl-4-isoxazole propionic acid | Rodents | Physiology | Protein transport | Pain perception | Extracellular signal-regulated kinase | Inflammation | Injection | Dentistry | Dental research | Morphology | Ligands | Anesthesiology
Journal Article
AIP Conference Proceedings, ISSN 0094-243X, 12/2013, Volume 1568, Issue 1, p. 42
Computational scheme for designing photovoltaic (PV) materials is presented. First-principles electron dynamics of photo-excitation and subsequent... 
Solar cells | Time dependence | First principles | Holes (electron deficiencies) | Photovoltaic cells | Computer simulation | Density functional theory | Dipole moments
Conference Proceeding
Journal of the Physical Society of Japan, ISSN 0031-9015, 2018, Volume 87, Issue 4, p. 41016
We review our recent developments in the ab initio simulation of excited-state dynamics within the framework of time-dependent density functional theory... 
CHEMICAL-REACTIONS | FEMTOSECOND-LASER-PULSES | EXPONENTIAL OPERATORS | PHYSICS, MULTIDISCIPLINARY | ELECTRONIC-TRANSITIONS | PHOTOISOMERIZATION | FIELD | SYSTEMS | HELIUM ION-MICROSCOPE | SPACE FORMALISM | RADIATION
Journal Article
Scientific Reports, ISSN 2045-2322, 12/2015, Volume 5, Issue 1, p. 18220
We examined real-time-propagation time-dependent density functional theory (rtp-TDDFT) coupled with molecular dynamics (MD), which uses single-particle... 
TRANS-AZOBENZENE | ENERGY | EXPONENTIAL OPERATORS | APPROXIMATION | MULTIDISCIPLINARY SCIENCES | AB-INITIO | SURFACE | TIME | DENSITY-FUNCTIONAL THEORY | ISOMERIZATION MECHANISM | DERIVATIVES | Adiabatic | Energy | Isomerization | Ethylene
Journal Article
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