scholarly journals Erratum: On the determination of Born–Oppenheimer nuclear motion wave functions including complications due to conical intersections and identical nuclei [J. Chem. Phys. 70, 2284 (1979)]

1983 ◽  
Vol 78 (10) ◽  
pp. 6344-6344 ◽  
Author(s):  
C. Alden Mead ◽  
Donald G. Truhlar
Keyword(s):  
Chem Phys ◽  
Wave Functions ◽  
Nuclear Motion ◽  
Conical Intersections

scholarly journals Exploring nuclear motion through conical intersections in the UV photodissociation of phenols and thiophenol

2008 ◽  
Vol 105 (35) ◽  
pp. 12701-12706 ◽  
Author(s):  
M. N. R. Ashfold ◽  
A. L. Devine ◽  
R. N. Dixon ◽  
G. A. King ◽  
M. G .D. Nix ◽  
...  
Keyword(s):  
Nuclear Motion ◽  
Conical Intersections

Comment on “First-principles determination of the bonding mechanism and adsorption energy for CO/MgO(001)” [Chem. Phys. Lett. 290 (1998) 255]

1999 ◽  
Vol 306 (3-4) ◽  
pp. 202-204 ◽  
Author(s):  
Francesc Illas ◽  
Gianfranco Pacchioni ◽  
Alexander Pelmenschikov ◽  
Lars G.M. Pettersson ◽  
Roberto Dovesi ◽  
...  
Keyword(s):  
Adsorption Energy ◽  
First Principles ◽  
Chem Phys ◽  
Bonding Mechanism

scholarly journals Quantum electrodynamics with self-conjugated equations with spinor wave functions for fermion fields

2021 ◽  
pp. 2150086
Author(s):  
V. P. Neznamov ◽  
V. E. Shemarulin
Keyword(s):  
Cross Sections ◽  
Magnetic Moment ◽  
Anomalous Magnetic Moment ◽  
Quantum Electrodynamics ◽  
Lamb Shift ◽  
Wave Functions ◽  
Self Energy ◽  
Fermion Fields ◽  
Spinor Wave

Quantum electrodynamics (QED) with self-conjugated equations with spinor wave functions for fermion fields is considered. In the low order of the perturbation theory, matrix elements of some of QED physical processes are calculated. The final results coincide with cross-sections calculated in the standard QED. The self-energy of an electron and amplitudes of processes associated with determination of the anomalous magnetic moment of an electron and Lamb shift are calculated. These results agree with the results in the standard QED. Distinctive feature of the developed theory is the fact that only states with positive energies are present in the intermediate virtual states in the calculations of the electron self-energy, anomalous magnetic moment of an electron and Lamb shift. Besides, in equations, masses of particles and antiparticles have the opposite signs.

Determination of hyperon properties through the variational method considering the hyperfine interaction

2019 ◽  
Vol 28 (10) ◽  
pp. 1950087 ◽  
Author(s):  
S. M. Moosavi Nejad ◽  
A. Armat
Keyword(s):  
Experimental Data ◽  
Wave Function ◽  
Ground State ◽  
Radiative Decay ◽  
Magnetic Moments ◽  
Wave Functions ◽  
Decay Widths ◽  
Free Parameters ◽  
Theoretical Results

Performing a fit procedure on the hyperon masses, we first determine the free parameters in the Cornell-like hypercentral potential between the constituent quarks of hyperons in their ground state. To this end, using the variational principle, we apply the hyperspherical Hamiltonian including the Cornell-like hypercentral potential and the perturbation potentials due to the spin–spin, spin–isospin and isospin–isospin interactions between constituent quarks. In the following, we compute the hyperon magnetic moments as well as radiative decay widths of spin-3/2 hyperons using the spin-flavor wave function of hyperons. Our analysis shows acceptable consistencies between theoretical results and available experimental data. This leads to reliable wave functions for hyperons at their ground state.

scholarly journals Quantum chemistry on quantum computers: quantum simulations of the time evolution of wave functions under the S2 operator and determination of the spin quantum number S

2019 ◽  
Vol 21 (28) ◽  
pp. 15356-15361 ◽  
Author(s):  
Kenji Sugisaki ◽  
Shigeaki Nakazawa ◽  
Kazuo Toyota ◽  
Kazunobu Sato ◽  
Daisuke Shiomi ◽  
...  
Keyword(s):  
Time Evolution ◽  
Quantum Number ◽  
Quantum Circuit ◽  
Wave Functions ◽  
Quantum Computers ◽  
Phase Estimation ◽  
Quantum Simulations ◽  
Spin Quantum ◽  
Spin Quantum Number

A quantum circuit to simulate time evolution of wave functions under an S2 operator is provided, and integrated it to the quantum phase estimation circuit to calculate the spin quantum number S of arbitrary wave functions on quantum computers.

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