exact time-dependent density functional and Floquet theory
... to the exchange-correlation potential that include essential physical effects may be developed. With currently available approximations highly correlated processes like single photon double ionization, autoionization, charge-transfer and resonant interactions (Rabi floppings, [14, 15]) are not prope ...
... to the exchange-correlation potential that include essential physical effects may be developed. With currently available approximations highly correlated processes like single photon double ionization, autoionization, charge-transfer and resonant interactions (Rabi floppings, [14, 15]) are not prope ...
80, 032307 (2009)
... the excited states e of the harmonic trap, H = p2 / 2m + m2r2共t兲 is the Hamiltonian of the system. As a result, the low-frequency beam pointing fluctuations do not induce dephasing in the atom qubit since the atom feels the same trapping potential even if the trap center fluctuates. Moreover, the ...
... the excited states e of the harmonic trap, H = p2 / 2m + m2r2共t兲 is the Hamiltonian of the system. As a result, the low-frequency beam pointing fluctuations do not induce dephasing in the atom qubit since the atom feels the same trapping potential even if the trap center fluctuates. Moreover, the ...
Taming the Electronic Structure of Lead and Eka-lead
... challenging and are often the sole source of useful chemical information. Relativistic Fockspace multireference coupled cluster (RFS-MRCC) computations have been carried out for evaluating the ionization potential (IP), excitation energies (EE), nuclear magnetic hyperfine constant (A), lifetime (τ), ...
... challenging and are often the sole source of useful chemical information. Relativistic Fockspace multireference coupled cluster (RFS-MRCC) computations have been carried out for evaluating the ionization potential (IP), excitation energies (EE), nuclear magnetic hyperfine constant (A), lifetime (τ), ...
Theoretical studies on As and Sb sulfide molecules
... a finite basis set for expansion of the MO' s and the neglect of electron correlation are often quite systematic. For example, when studying neutral molecules at the polarized valence double zeta basis set self-consistent-field (SCF) level (i.e. Hartree-Fock ab initio MO theory with two functions to ...
... a finite basis set for expansion of the MO' s and the neglect of electron correlation are often quite systematic. For example, when studying neutral molecules at the polarized valence double zeta basis set self-consistent-field (SCF) level (i.e. Hartree-Fock ab initio MO theory with two functions to ...
Unifying Classical and Quantum Key Distillation
... of quantum physics imply that the random values held by one party, say Alice, cannot at the same time be correlated with Bob and Eve. Hence, whenever Alice and Bob’s values are strongly correlated (which can be checked easily) then Eve’s uncertainty about them must inevitably (by the laws of quantum ...
... of quantum physics imply that the random values held by one party, say Alice, cannot at the same time be correlated with Bob and Eve. Hence, whenever Alice and Bob’s values are strongly correlated (which can be checked easily) then Eve’s uncertainty about them must inevitably (by the laws of quantum ...
Introduction to Chemistry
... 2. I can calculate the pH of a solution. 3. I can write a neutralization reaction between an acid and base. 4. I can calculate the concentration of an acid or base from data collected in a titration. Unit 9: Energy of Chemical Changes Nature of Science Goal—Science provides technology to improve liv ...
... 2. I can calculate the pH of a solution. 3. I can write a neutralization reaction between an acid and base. 4. I can calculate the concentration of an acid or base from data collected in a titration. Unit 9: Energy of Chemical Changes Nature of Science Goal—Science provides technology to improve liv ...
Range corrections in Proton Halo Nuclei
... the neutron dripline and have been studied in Halo EFT [5, 6, 7, 8, 9, 10]. Proton halo systems exist too, but are less common due to the delicate interplay between attraction from the strong interaction and the repulsion from the Coulomb interaction. The effects of the Coulomb interaction were firs ...
... the neutron dripline and have been studied in Halo EFT [5, 6, 7, 8, 9, 10]. Proton halo systems exist too, but are less common due to the delicate interplay between attraction from the strong interaction and the repulsion from the Coulomb interaction. The effects of the Coulomb interaction were firs ...
Process, System, Causality, and Quantum Mechanics, A
... of themselves. In linked chains of any kind, linked probabilities are quadratic in unlinked probabilities, but in classical chains one of the factors is constant and factors out, so probability is in effect linear in amplitude, i.e. the classical “state vector” is the usual probability vector. If th ...
... of themselves. In linked chains of any kind, linked probabilities are quadratic in unlinked probabilities, but in classical chains one of the factors is constant and factors out, so probability is in effect linear in amplitude, i.e. the classical “state vector” is the usual probability vector. If th ...
The goals of this chapter are to understand
... are both in Group IB of the periodic table, and both have one valence electron per atom. Also, both have FCC lattices with lattice parameters given in Appendix B of 0.40786 nm for gold and 0.40862 nm for silver. The free-electron density for silver is slightly less than that for gold. However, the e ...
... are both in Group IB of the periodic table, and both have one valence electron per atom. Also, both have FCC lattices with lattice parameters given in Appendix B of 0.40786 nm for gold and 0.40862 nm for silver. The free-electron density for silver is slightly less than that for gold. However, the e ...
XVIIth International Workshop on Quantum Atomic and Molecular
... in molecular isomerization reactions and George Gamow (1928) on the theory of radioactive alpha decay, both being connected to ‘heavy’ particle motion (of the corresponding He nuclei or ‘atoms and molecules’) and thus fitting into the framework of the QAMTS workshops. Since then, numerous phenomena ...
... in molecular isomerization reactions and George Gamow (1928) on the theory of radioactive alpha decay, both being connected to ‘heavy’ particle motion (of the corresponding He nuclei or ‘atoms and molecules’) and thus fitting into the framework of the QAMTS workshops. Since then, numerous phenomena ...
Fast Equivalence-checking for Quantum Circuits
... C ONTROLLED -NOT (CNOT) GATE has two inputs, the control (•) and the target (⊕). It copies the control input to the output and, when the control carries |1 >, inverts the target. Two repeated CNOTs cancel out, but three non-canceling CNOTs, that alternate controls and targets, swap quantum states an ...
... C ONTROLLED -NOT (CNOT) GATE has two inputs, the control (•) and the target (⊕). It copies the control input to the output and, when the control carries |1 >, inverts the target. Two repeated CNOTs cancel out, but three non-canceling CNOTs, that alternate controls and targets, swap quantum states an ...
Energy gap between highest occupied molecular orbital and lowest
... levels” of individual fullerenes in the C60-C240 onion. Therefore, we got a gap between HOMO共C240兲 and LUMO共C60兲 which is about 0.490 eV when the interaction between shells is not taken into account. When the interaction between the inner and outer shell is taken into account, the HOMO state is doub ...
... levels” of individual fullerenes in the C60-C240 onion. Therefore, we got a gap between HOMO共C240兲 and LUMO共C60兲 which is about 0.490 eV when the interaction between shells is not taken into account. When the interaction between the inner and outer shell is taken into account, the HOMO state is doub ...
January 20, 2004 9:50 WSPC/140-IJMPB 02353
... linear response to the external electric field in the adiabatic limit is concerned. Moreover, general conclusions about the spin current can be manifestly drawn in this approach. Following the common definition of the spin current, we show that the spin current is always a direct result of the diffe ...
... linear response to the external electric field in the adiabatic limit is concerned. Moreover, general conclusions about the spin current can be manifestly drawn in this approach. Following the common definition of the spin current, we show that the spin current is always a direct result of the diffe ...
Hydrogen atom
A hydrogen atom is an atom of the chemical element hydrogen. The electrically neutral atom contains a single positively charged proton and a single negatively charged electron bound to the nucleus by the Coulomb force. Atomic hydrogen constitutes about 75% of the elemental (baryonic) mass of the universe.In everyday life on Earth, isolated hydrogen atoms (usually called ""atomic hydrogen"" or, more precisely, ""monatomic hydrogen"") are extremely rare. Instead, hydrogen tends to combine with other atoms in compounds, or with itself to form ordinary (diatomic) hydrogen gas, H2. ""Atomic hydrogen"" and ""hydrogen atom"" in ordinary English use have overlapping, yet distinct, meanings. For example, a water molecule contains two hydrogen atoms, but does not contain atomic hydrogen (which would refer to isolated hydrogen atoms).