A5003331680- Spectroscopy and Quantum Chemical Studies
- Advanced Chemical Physics Studies
- Atomic and Molecular Physics
- Quantum, superfluid, helium dynamics
- Cold Atom Physics and Bose-Einstein Condensates
- Molecular Spectroscopy and Structure
- Laser-Matter Interactions and Applications
- Liquid Crystal Research Advancements
- Mass Spectrometry Techniques and Applications
- Advanced Fiber Laser Technologies
- Molecular spectroscopy and chirality
- Particle accelerators and beam dynamics
- Surfactants and Colloidal Systems
- Spectroscopy and Laser Applications
- Gyrotron and Vacuum Electronics Research
- Various Chemistry Research Topics
- Molecular Junctions and Nanostructures
University of Warsaw
2014-2024
This paper has been prepared by the Symphony collaboration (University of Warsaw, Uniwersytet Jagielloński, DESY/CNR and ICFO) on occasion 25th anniversary 'simple man's models' which underlie most phenomena that occur when intense ultrashort laser pulses interact with matter. The in question include high-harmonic generation (HHG), above-threshold ionization (ATI), non-sequential multielectron (NSMI). 'Simple provide both an intuitive basis for understanding numerical solutions...
Molecular ions that are generated by chemical reactions with trapped atomic can serve as an accessible testbed for developing molecular quantum technologies. On the other hand, they also a hindrance to scaling up computers based on ions, unavoidable background gases destroy information carriers. Here, we investigate single- and two-photon dissociation processes of single CaOH+ co-trapped in Ca+ ion crystals using femtosecond laser system. We report photodissociation cross section spectra...
The exchange-splitting energy $J$ of the lowest gerade and ungerade states ${{\mathrm{H}}_{2}}^{+}$ molecular ion was calculated using a volume integral expression symmetry-adapted perturbation theory standard basis set techniques quantum chemistry. performance proposed compared to well-known surface-integral formula. Both formulas involve primitive function, which we employing either Hirschfelder-Silbey or conventional Rayleigh-Schr\"odinger (the polarization expansion). Our calculations...
The exchange splitting J of the interaction energy hydrogen atom with a proton is calculated using conventional surface-integral formula Jsurf[Φ], volume-integral symmetry-adapted perturbation theory JSAPT[Φ], and variational Jvar[Φ]. calculations are based on multipole expansion wave function Φ, which divergent for any internuclear distance R. Nevertheless, resulting approximations to leading coefficient j0 in large-R asymptotic series J(R) = 2e−R−1R(j0 + j1R−1 j2R−2 ⋯) converge rate...
The exchange contribution to the energy of hydrogen atom interacting with a proton is calculated from polarization expansion wave function using conventional surface-integral formula and two formulas involving volume integrals: symmetry-adapted perturbation theory (SAPT) variational recommended by us. At large internuclear distances $R$, all three yield correct expression $\ensuremath{-}(2/e)R{e}^{\ensuremath{-}R}$, but they approximate it very different convergence rates. In case SAPT...
The conventional surface integral formula Jsurf[Φ] and an alternative volume Jvar[Φ] are used to compute the asymptotic exchange splitting of interaction energy hydrogen atom a proton employing primitive function Φ in form its truncated multipole expansion. Closed-form formulas obtained for asymptotics Jsurf[ΦN] Jvar[ΦN], where ΦN is expansion after 1/RN term, R being internuclear separation. It shown that sequences approximations converge exact result with rate corresponding convergence...
Series of new Ni(II) metalomesogens triangular molecular shape and forming Colh liquid crystalline (LC) phase were synthesised described. Using in the core barbituric moieties that contain carbonyl or thiocarbonyl groups causes strong polarisation molecules creates a permanent dipole moment μ, which was confirmed by quantum mechanical calculations. The relationship between self-organisation into columnar considered. position alkyl alkoxy chains substituted at phenyl ring affects LC formation...
The exchange splitting $J$ of the interaction energy hydrogen atom with a proton is calculated using conventional surface-integral formula $J_{\textrm{surf}}[\varphi]$, volume-integral symmetry-adapted perturbation theory $J_{\textrm{SAPT}}[\varphi]$, and variational $J_{\textrm{var}}[\varphi]$. calculations are based on multipole expansion wave function $\varphi$, which divergent for any internuclear distance $R$. Nevertheless, resulting approximations to leading coefficient $j_0$ in...