Yuly Chamorro
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View article: High-resolution spectroscopy of barium monofluoride: Odd isotopologues, hyperfine structure, and isotope shifts
High-resolution spectroscopy of barium monofluoride: Odd isotopologues, hyperfine structure, and isotope shifts Open
Barium monofluoride (BaF) is a promising molecular species for precision tests of fundamental symmetries and interactions. We present a combined theoretical and experimental study of BaF spectra and isotope shifts, focusing in particular o…
View article: Magnetic hyperfine structure constants of $^{137}$BaF in the $^2Π_{1/2}$ and $^2Π_{3/2}$ excited states
Magnetic hyperfine structure constants of $^{137}$BaF in the $^2Π_{1/2}$ and $^2Π_{3/2}$ excited states Open
High-precision molecular experiments testing the Standard Model of particle physics require an accurate understanding of the molecular structure at the hyperfine level, both for the control of the molecules and for the interpretation of th…
View article: P , T -odd effects in YbCu, YbAg, and YbAu
P , T -odd effects in YbCu, YbAg, and YbAu Open
In this work, the molecular enhancement factors of the P,T-odd interactions involving the electron electric dipole moment (Wd) and the scalar–pseudoscalar nucleon–electron couplings (Ws) are computed for the ground state of the bimetallic …
View article: Enhanced parity and time-reversal-symmetry violation in diatomic molecules: LaO, LaS, and LuO
Enhanced parity and time-reversal-symmetry violation in diatomic molecules: LaO, LaS, and LuO Open
High-precision measurements of symmetry violations in molecules are a promising route to test the standard model of particle physics. In particular, the violation of parity () and time-reversal () symmetry is enhanced in the LaS, LaO, and …
View article: $\mathcal{P,T}$-odd effects in YbCu, YbAg and YbAu
$\mathcal{P,T}$-odd effects in YbCu, YbAg and YbAu Open
In this work, the molecular enhancement factors of the $\mathcal{P,T}$-odd interactions involving the electron electric dipole moment ($W_\mathrm{d}$) and the scalar-pseudoscalar nucleon-electron couplings ($W_\mathrm{s}$) are computed for…
View article: Electroweak Nuclear Properties from Single Molecular Ions in a Penning Trap
Electroweak Nuclear Properties from Single Molecular Ions in a Penning Trap Open
We present a novel technique to probe electroweak nuclear properties by measuring parity violation (PV) in single molecular ions in a Penning trap. The trap's strong magnetic field Zeeman shifts opposite-parity rotational and hyperfine mol…
View article: Parity and time-reversal symmetry violation in diatomic molecules: LaO, LaS and LuO
Parity and time-reversal symmetry violation in diatomic molecules: LaO, LaS and LuO Open
The violation of parity (P) and time-reversal (T) symmetry is enhanced in the LaS, LaO and LuO molecules due to the existence of states of opposite parity with small energy differences and the presence of heavy nuclei. We calculate the mol…
View article: Electroweak Nuclear Properties from Single Molecular Ions in a Penning Trap
Electroweak Nuclear Properties from Single Molecular Ions in a Penning Trap Open
We present a novel technique to probe electroweak nuclear properties by measuring parity violation (PV) in single molecular ions in a Penning trap. The trap's strong magnetic field Zeeman shifts opposite-parity rotational and hyperfine mol…
View article: Radiative decay rate and branching fractions of MgF
Radiative decay rate and branching fractions of MgF Open
We report measured and calculated values of radiative decay rates and vibrational branching fractions for the Formula Presented state of Formula Presented. The decay rate measurements use time-correlated single-photon counting with roughly…
View article: Coordination of Mercury(II) in Water Promoted over Hydrolysis in Solvated Clusters [Hg(H<sub>2</sub>O)<sub>1–6</sub>]<sub>(aq)</sub><sup>2+</sup>: Insights from Relativistic Effects and Free Energy Analysis
Coordination of Mercury(II) in Water Promoted over Hydrolysis in Solvated Clusters [Hg(H<sub>2</sub>O)<sub>1–6</sub>]<sub>(aq)</sub><sup>2+</sup>: Insights from Relativistic Effects and Free Energy Analysis Open
Understanding the nature of the interaction between mercury(II) ions, Hg2+, and water molecules is crucial to describe the stability and chemical behavior of structures formed during solvation, as well as the conditions that favor the Hg2+…
View article: Radiative Decay Rate and Branching Fractions of MgF
Radiative Decay Rate and Branching Fractions of MgF Open
We report measured and calculated values of radiative decay rates and vibrational branching fractions for the A$^2Π$ state of MgF. The decay rate measurements use time-correlated single photon counting with roughly 1% total uncertainty. Br…
View article: Parity-violating contributions to nuclear spin-rotation interactions and to NMR shielding constants in tetrahedral molecules
Parity-violating contributions to nuclear spin-rotation interactions and to NMR shielding constants in tetrahedral molecules Open
In natural processes involving weak interactions, a violation of spatial parity conservation should appear. Although the parity-violation effects are expected to be observable in molecular systems, their tiny magnitude has prevented their …
View article: Molecular enhancement factors for P, T-violating eEDM in BaCH$_3$ and YbCH$_3$ symmetric top molecules
Molecular enhancement factors for P, T-violating eEDM in BaCH$_3$ and YbCH$_3$ symmetric top molecules Open
High-precision tests of fundamental symmetries are looking for the parity- (P), time-reversal- (T) violating electric dipole moment of the electron (eEDM) as proof of physics beyond the Standard Model. Particularly, in polyatomic molecules…
View article: Benchmarking of the Fock-space coupled-cluster method and uncertainty estimation: Magnetic hyperfine interaction in the excited state of BaF
Benchmarking of the Fock-space coupled-cluster method and uncertainty estimation: Magnetic hyperfine interaction in the excited state of BaF Open
We present an investigation of the performance of the relativistic multireference Fock-space coupled-cluster (FSCC) method for predicting molecular hyperfine structure (HFS) constants, including a thorough computational study to estimate t…
View article: Microsolvation of Sr<sup>2+</sup>, Ba<sup>2+</sup>: Structures, energies, bonding, and nuclear magnetic shieldings
Microsolvation of Sr<sup>2+</sup>, Ba<sup>2+</sup>: Structures, energies, bonding, and nuclear magnetic shieldings Open
An exhaustive exploration using non–relativistic and four–component relativistic formalisms of the potential energy surfaces for the microsolvation of Sr 2+ , Ba 2+ with up to n = 6 water molecules is presented in this work. A multitude of…
View article: Microsolvation of heavy halides
Microsolvation of heavy halides Open
The fundamental question of how intermolecular interactions lead to the stabilization of heavy halides (Br − , I − , At − ) microsolvated with up to six explicit water molecules is addressed here. An exhaustive exploration of the potential…