Non-covalent binding of fullerenes and biomolecules at surface
... encountered in the adsorption of carboxylic acids on copper or other surfaces and has been extensively studied.14–18 A close inspection of Fig. 2a also reveals that the two molecules always reside at two opposite diagonal positions within a nanocavity, suggesting that the surrounding carboxylate gro ...
... encountered in the adsorption of carboxylic acids on copper or other surfaces and has been extensively studied.14–18 A close inspection of Fig. 2a also reveals that the two molecules always reside at two opposite diagonal positions within a nanocavity, suggesting that the surrounding carboxylate gro ...
EFFECTS OF MOLECULAR ORIENTATION AND ANNEALING ON …
... Where Io and I are the incident and transmitted intensity respectively and x is the sample thickness. ...
... Where Io and I are the incident and transmitted intensity respectively and x is the sample thickness. ...
paper
... candidates for a wide range of applications including catalysis and electronic and magnetic devices. Although their bulk characteristics are well-understood, very little is known about their surface properties at the molecular level. Here, we demonstrate high reactivity of NiFe2O4 (111) surfaces, a ...
... candidates for a wide range of applications including catalysis and electronic and magnetic devices. Although their bulk characteristics are well-understood, very little is known about their surface properties at the molecular level. Here, we demonstrate high reactivity of NiFe2O4 (111) surfaces, a ...
Investigation of excitation energies and Hund`s rule in open shell
... 3.1 Ground state results and Hund’s first rules In Table 1 we show ground state DMC and VMC energies. The DMC and VMC ground states of both dots have L = 0, S = 2 symmetry. The total spin S is the maximum allowed for four open-shell electrons, complying with Hund’s first rule. For the N = 24 case, i ...
... 3.1 Ground state results and Hund’s first rules In Table 1 we show ground state DMC and VMC energies. The DMC and VMC ground states of both dots have L = 0, S = 2 symmetry. The total spin S is the maximum allowed for four open-shell electrons, complying with Hund’s first rule. For the N = 24 case, i ...
An Introduction to
... not actually require one to know or even be able to have these states in hand. Let’s pretend that we know the quantum states that pertain to N molecules in a container of volume V as shown in Fig. 7.2, and let’s label these states by an index J. That is J=1 labels the lowest-energy state of N molecu ...
... not actually require one to know or even be able to have these states in hand. Let’s pretend that we know the quantum states that pertain to N molecules in a container of volume V as shown in Fig. 7.2, and let’s label these states by an index J. That is J=1 labels the lowest-energy state of N molecu ...
epl draft - E-Prints Complutense
... In order to study electron transport across the quantum ring, we mapped it onto a much simpler yet nontrivial lattice model, depicted in Fig. 1b). We replace the actual quantum ring by four sites of a lattice within the tight-binding approximation. Two sites (0± ) have timedependent energies ε± (t) ...
... In order to study electron transport across the quantum ring, we mapped it onto a much simpler yet nontrivial lattice model, depicted in Fig. 1b). We replace the actual quantum ring by four sites of a lattice within the tight-binding approximation. Two sites (0± ) have timedependent energies ε± (t) ...
Midgap states of a two-dimensional antiferromagnetic Mott
... square of the lattice to be minus one using a spin-independent gauge in which T ij = −1 for one link of each plaquette, but T ij = +1 for the remaining three links (see fig. 1 a)). In this spin-independent gauge αx = −γz ⊗ τx ⊗ I and αy = γx ⊗ τx ⊗ I contain the identity matrix in spin-space and β = ...
... square of the lattice to be minus one using a spin-independent gauge in which T ij = −1 for one link of each plaquette, but T ij = +1 for the remaining three links (see fig. 1 a)). In this spin-independent gauge αx = −γz ⊗ τx ⊗ I and αy = γx ⊗ τx ⊗ I contain the identity matrix in spin-space and β = ...
Materials Design from ab initio Calculations
... molecules and solids using computers, without performing experiments in the laboratory. Already around 1930 physicists were fully aware of the quantum mechanical equations governing the behavior of systems of many electrons, but were incapable of exactly solving them in all but the very simplest cas ...
... molecules and solids using computers, without performing experiments in the laboratory. Already around 1930 physicists were fully aware of the quantum mechanical equations governing the behavior of systems of many electrons, but were incapable of exactly solving them in all but the very simplest cas ...
Atomic matter of nonzero-momentum Bose-Einstein condensation and orbital current order
... frequency on resonance with the s-p state transition and 共B兲 to apply the method demonstrated in the experiment of Browaeys et al. 关9兴 by accelerating atoms in a lattice. We may also add a third possible approach—that is, 共C兲 to sweep atoms adiabatically across a Feshbach resonance. Köhl et al. 关10兴 ...
... frequency on resonance with the s-p state transition and 共B兲 to apply the method demonstrated in the experiment of Browaeys et al. 关9兴 by accelerating atoms in a lattice. We may also add a third possible approach—that is, 共C兲 to sweep atoms adiabatically across a Feshbach resonance. Köhl et al. 关10兴 ...
Spectroscopic Notation Most of the information we have about the
... where ω is the statistical weight of the level. High A values (such as 108 sec−1 ) are permitted transitions; on average, if A = 108 sec−1 , it will take an electron 10−8 seconds to decay. Also, in general, the larger the energy difference of a permitted transition, the larger the A value, with A ∝ ν ...
... where ω is the statistical weight of the level. High A values (such as 108 sec−1 ) are permitted transitions; on average, if A = 108 sec−1 , it will take an electron 10−8 seconds to decay. Also, in general, the larger the energy difference of a permitted transition, the larger the A value, with A ∝ ν ...
Direct Optical Energy Gap in Amorphous Silicon Quantum Dots
... in this model, where it is adopted for a-Si because, silicon is very well known as indirect transition material. The key peculiarity of a-SiQDs emerges from the three dimensions confinement of charge carrier’s motion determined by shape and size [20]. The shape of a-SiQD is modeled as a sphere [18,1 ...
... in this model, where it is adopted for a-Si because, silicon is very well known as indirect transition material. The key peculiarity of a-SiQDs emerges from the three dimensions confinement of charge carrier’s motion determined by shape and size [20]. The shape of a-SiQD is modeled as a sphere [18,1 ...
.
... a photonic gate, i.e., a nonlinearity that acts on two or more photons. In the general case we will consider a superposition j c ph i ¼ 0 j0i þ 1 j1i þ 2 j2i of 0, 1, and 2 photons for the incoming state, and the aim will be to introduce a minus sign in the two-photon state, to get Uð2Þ j c ph i ...
... a photonic gate, i.e., a nonlinearity that acts on two or more photons. In the general case we will consider a superposition j c ph i ¼ 0 j0i þ 1 j1i þ 2 j2i of 0, 1, and 2 photons for the incoming state, and the aim will be to introduce a minus sign in the two-photon state, to get Uð2Þ j c ph i ...
Non-Abelian String-Net Ladders Marc Daniel Schulz, S´ebastien Dusuel, and Julien Vidal
... shown whereas, on the right part, a two-flux (2,2) excitation with qa = qb = 0 is displayed (trivial fluxes 0 are not shown). Right: phase diagram consisting of three gapped phases separated by first-order transitions at θ = π/4, π, and 3π/2. ...
... shown whereas, on the right part, a two-flux (2,2) excitation with qa = qb = 0 is displayed (trivial fluxes 0 are not shown). Right: phase diagram consisting of three gapped phases separated by first-order transitions at θ = π/4, π, and 3π/2. ...
Probing the Electronic Structure of Complex Systems by ARPES
... Here V0 ¼ jE0 j þ is the inner potential, which corresponds to the energy of the bottom of the valence band referenced to vacuum level Ev : From Eq. (9) and the measured values of Ekin and #; if V0 is also known, one can then obtain the corresponding value of k? : As for the determination of V0 ; ...
... Here V0 ¼ jE0 j þ is the inner potential, which corresponds to the energy of the bottom of the valence band referenced to vacuum level Ev : From Eq. (9) and the measured values of Ekin and #; if V0 is also known, one can then obtain the corresponding value of k? : As for the determination of V0 ; ...
Measurement and assignment of the size-dependent
... the first transition in our analysis. In agreement with previous work, our fits show that transition linewidths increase with increasing energy11,19 ~Fig. 3! and decreasing size.16,19 Rough estimates of oscillator strength based on our fits also confirm that excited-state transitions are comparable ...
... the first transition in our analysis. In agreement with previous work, our fits show that transition linewidths increase with increasing energy11,19 ~Fig. 3! and decreasing size.16,19 Rough estimates of oscillator strength based on our fits also confirm that excited-state transitions are comparable ...
Franck–Condon principle
The Franck–Condon principle is a rule in spectroscopy and quantum chemistry that explains the intensity of vibronic transitions. Vibronic transitions are the simultaneous changes in electronic and vibrational energy levels of a molecule due to the absorption or emission of a photon of the appropriate energy. The principle states that during an electronic transition, a change from one vibrational energy level to another will be more likely to happen if the two vibrational wave functions overlap more significantly.