Search Results - "MOSZYNSKI, ROBERT"
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Reexamination of the calculation of two-center, two-electron integrals over Slater-type orbitals. I. Coulomb and hybrid integrals
Published in Physical review. E, Statistical, nonlinear, and soft matter physics (29-12-2014)“…In this paper, which constitutes the first part of the series, we consider calculation of two-center Coulomb and hybrid integrals over Slater-type orbitals…”
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Reexamination of the calculation of two-center, two-electron integrals over Slater-type orbitals. II. Neumann expansion of the exchange integrals
Published in Physical review. E, Statistical, nonlinear, and soft matter physics (29-12-2014)“…In this paper we consider the calculation of two-center exchange integrals over Slater-type orbitals (STOs). We apply the Neumann expansion of the Coulomb…”
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Imaging the Renner–Teller effect using laser-induced electron diffraction
Published in Proceedings of the National Academy of Sciences - PNAS (23-04-2019)“…Structural information on electronically excited neutral molecules can be indirectly retrieved, largely through pump–probe and rotational spectroscopy…”
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Many interacting fermions in a one-dimensional harmonic trap: a quantum-chemical treatment
Published in New journal of physics (26-10-2015)“…We employ ab initio methods of quantum chemistry to investigate spin-1/2 fermions interacting via a two-body contact potential in a one-dimensional harmonic…”
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Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes
Published in Chemical reviews (01-11-1994)“…A significant progress made during the 1980s and early 1990s in the perturbation theory of intermolecular interactions is discussed. Investigations of…”
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Modeling of High-Harmonic Generation in the C60 Fullerene Using Ab Initio, DFT-Based, and Semiempirical Methods
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (11-04-2024)“…We report calculations of the high-harmonic generation spectra of the C60 fullerene molecule carried out by employing a diverse set of real-time time-dependent…”
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Global ab Initio Potential Energy Surface for the O2(3Σg –) + N2(1Σg +) Interaction. Applications to the Collisional, Spectroscopic, and Thermodynamic Properties of the Complex
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21-08-2014)“…A detailed characterization of the interaction between the most abundant molecules in air is important for the understanding of a variety of phenomena in…”
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Towards a New Family of Photoluminescent Organozinc 8-Hydroxyquinolinates with a High Propensity to Form Noncovalent Porous Materials
Published in Chemistry : a European journal (27-04-2012)“…We report on investigations of reactions of tBu2Zn with 8‐hydroxyquinoline (q‐H) and the influence of water on the composition and structure of the final…”
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Dispersion Energy from the Time-Independent Coupled-Cluster Polarization Propagator
Published in Journal of chemical theory and computation (28-02-2023)“…We present a new method of calculation of the dispersion energy in the second-order symmetry-adapted perturbation theory. Using the Longuet-Higgins integral…”
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Ab initio Potential Energy Curve for the Ground State of Beryllium Dimer
Published in Journal of chemical theory and computation (09-04-2019)“…This work concerns ab initio calculations of the complete potential energy curve and spectroscopic constants for the ground state X 1Σ g + of the beryllium…”
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Kerr and Cotton-Mouton effects in atomic gases: a quantum-statistical study
Published in Molecular physics (01-07-2013)“…Theory of the birefringence of the refractive index in atomic diamagnetic dilute gases in the presence of static electric (Kerr effect) and magnetic…”
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Experimental and Computational Insights into Carbon Dioxide Fixation by RZnOH Species
Published in Chemistry : a European journal (27-03-2015)“…Organozinc hydroxides, RZnOH, possessing the proton‐reactive alkylzinc group and the CO2‐reactive ZnOH group, represent an intriguing group of organometallic…”
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Analytical two-center integrals over Slater geminal functions
Published in Physical review. A, Atomic, molecular, and optical physics (26-11-2012)Get full text
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Controlling magnetic Feshbach resonances in polar open-shell molecules with nonresonant light
Published in Physical review letters (21-03-2014)“…Magnetically tunable Feshbach resonances for polar paramagnetic ground-state diatomics are too narrow to allow for magnetoassociation starting from trapped,…”
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Generating molecular rovibrational coherence by two-photon femtosecond photoassociation of thermally hot atoms
Published in Physical review letters (30-12-2011)“…The formation of diatomic molecules with rotational and vibrational coherence is demonstrated experimentally in free-to-bound two-photon femtosecond…”
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Weak intermolecular interactions in gas-phase nuclear magnetic resonance
Published in The Journal of chemical physics (28-08-2011)“…Gas-phase nuclear magnetic resonance (NMR) spectra demonstrating the effect of weak intermolecular forces on the NMR shielding constants of the interacting…”
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Cold collisions of ground-state calcium atoms in a laser field: A theoretical study
Published in Physical review. A, Atomic, molecular, and optical physics (01-09-2003)“…State-of-the-art ab initio techniques have been applied to compute the potential-energy curves for the ground X {sup 1}{sigma}{sub g}{sup +} and excited {sup…”
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