Zobrazeno 1 - 10
of 82
pro vyhledávání: '"Ruiz, María Belén"'
Autor:
Ruiz, María Belén, Tröger, Robert
Publikováno v:
Advances in Quantum Chemistry Vol. 76: Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems, Electron correlation in Atomic systems, Chapter 12, 2017
Configuration Interaction (CI) calculations on the ground state of the C atom are carried out using a small basis set of Slater orbitals [7s6p5d4f3g]. The configurations are selected according to their contribution to the total energy. One set of exp
Externí odkaz:
http://arxiv.org/abs/1707.09738
Autor:
Romero-Noguera, Julio1 (AUTHOR) juliorn@us.es, Ruiz-Ruiz, María Belén2 (AUTHOR), Cultrone, Giuseppe3 (AUTHOR), Doménech-Carbó, Teresa4 (AUTHOR), Bolívar-Galiano, Fernando2 (AUTHOR)
Publikováno v:
Heritage Science. 5/22/2023, Vol. 11 Issue 1, p1-11. 11p.
The bound state spectra of the doublet states in three-electron atomic systems are investigated. By using different variational expansions we determine various bound state properties in these systems. Such properties include the electron-nucleus and
Externí odkaz:
http://arxiv.org/abs/1403.7945
A large number of bound singlet and triplet states in the four-electron Be-atom and Be-like ions B$^+$, C$^{2+}$, F$^{5+}$ and Mg$^{8+}$ are determined to milli-Hartree numerical accuracy ($1\cdot 10^{-3}$ a.u.). These states include the bound single
Externí odkaz:
http://arxiv.org/abs/1311.2440
Autor:
Frolov, Alexei M., Ruiz, Maria Belen
The bound state spectrum of the low-lying triplet states in the Be atom is investigated. In particular, we perform accurate computations of the bound triplet $S$, $P$, $D$, $F$, $G$, $H$ and $I$ states in the Be atom. The results of these calculation
Externí odkaz:
http://arxiv.org/abs/1310.2657
Autor:
Frolov, Alexei M., Ruiz, Maria Belen
The bound state spectrum of low-lying triplet states in the Be atom is investigated. In particular, we perform accurate computations of various bound triplet S, P, D, F, and G states in the four-electron Be atom. For the 23S(L=0) state in the Be atom
Externí odkaz:
http://arxiv.org/abs/1307.7424
Autor:
Ruiz, Maria Belen
In this review we study the level of accuracy of the electronic wave functions which is necessary to describe properly the atomic effects during nuclear beta-decay. In the case of the beta- decay in the Li atom into Be+ ion we compare the numerical v
Externí odkaz:
http://arxiv.org/abs/1305.5696
The total energies of twenty eight bound S-, P-, D-, F-, G-, H-, and I-states in the three-electron systems Li atom and Be+ ion, respectively, are determined with the use of the Configuration Interaction (CI) with Slater orbitals and L-S eigenfunctio
Externí odkaz:
http://arxiv.org/abs/1302.5572
Autor:
Frolov, Alexei M., Ruiz, Maria Belen
A number of bound states properties and the hyperfine structure of the 23S(L=0)-state in the Be atom are determined from the results of highly accurate computations. The energies of the hyperfine structure levels for this state are {\epsilon}(F=12) =
Externí odkaz:
http://arxiv.org/abs/1301.6402
Autor:
Özdogan, Telhat, Ruiz, Maria Belen
The Slater orbitals are the natural basis functions in quantum molecular calculations. Three-center repulsion Coulomb-exchange integrals over Slater orbitals are evaluated analytically with arbitrary orbital exponents, first for linear conformation o
Externí odkaz:
http://arxiv.org/abs/1209.3755