Search results for: ENERGY POTENTIAL

Search results for: ENERGY POTENTIAL

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Potential energy curves of LiCs dimer
Open Research Data
open access
- T. Kilich
This data presents potential energy curves of LiCs dimer in Hund's case (a). Calculated using Born-Oppenheimer approximation with scalar relativistic effects are included via large effective core potentials. Custom basis sets, core polarization potentials and MRCI method are used to accurately describe electron correlation. Dataset consists of 22 potential...
Potential energy curves of NaRb dimer
Open Research Data
open access
- M. Wiatr
- P. Jasik
- J. Sienkiewicz
- H. Stoll
- T. Kilich
This data presents potential energy curves of NaRb dimer in Hund's case (a). Calculated using Born-Oppenheimer approximation with scalar relativistic effects are included via large effective core potentials. Core polarization potentials and MRCI method is used to describe electron correlation. Dataset consists of 18 potential energy curves of ground...
Quasirelativistic potential energy curves of NaRb dimer
Open Research Data
open access
- M. Wiatr
- P. Jasik
- T. Kilich
- J. Sienkiewicz
- H. Stoll
This data presents potential energy curves of NaRb dimer, that include spin-orbit interaction, in Hund's case (c). Calculated using Born-Oppenheimer approximation with relativistic effects included via large spin-orbit effective core potentials. Custom basis sets, core polarization potentials and MRCI method are used to accurately describe electron...
Adiabatic potential energy curves of the KRb molecule
Open Research Data
open access
- series: Potential energy curves, transition and permanent dipole moments of KRb
Adiabatic potential energy curves (APEC) of the singlet (s) and triplet (t) Sigma+, Sigma-, Pi, and Delta electronic states have been calculated for the KRb molecule. Presented APECs correlate with 11 atomic asymptotes, starting from ground K(4s)+Rb(5s) atomic limit and ending on double-excited K(4p)+Rb(5p) atomic limit. All results of the presented...
Born-Oppenheimer potential energy curves of the NaK molecule
Open Research Data
open access
- K. Bączek
- P. Jasik
- T. Kilich
- J. Sienkiewicz
Adiabatic potential energy curves (APEC) of the singlet (s) and triplet (t) Sigma+, Pi, and Delta electronic states have been calculated for the NaK molecule. All results of the presented molecular states have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
Adiabatic potential energy curves of the triplet Pi gerade states of the Lithium dimer
Open Research Data
open access
- P. Jasik
- J. Sienkiewicz
- series: Adiabatic potential energy curves of the Lithium dimer
Adiabatic potential energy curves of the triplet Pi gerade states have been calculated for the Lithium dimer. The results of the two excited states of the symmetry triplet Pi gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons...
Adiabatic potential energy curves of the singlet Pi ungerade states of the Lithium dimer
Open Research Data
open access
- P. Jasik
- J. Sienkiewicz
- series: Adiabatic potential energy curves of the Lithium dimer
Adiabatic potential energy curves of the singlet Pi ungerade states have been calculated for the Lithium dimer. The results of the two excited states of the symmetry singlet Pi ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons...
Potential energy surfaces of the low-lying electronic states of the Li+LiCs system
Open Research Data
open access
This data presents potential energy surfaces of Li atom interacting with LiCs dimer for the ground and first excited state. They were calculated using effective core potentials and MRCI method and include relativistic effects. The interatomic distance in the dimer is kept constant and equal to experimental value of 6.931704423 bohrs (3.6681 A). Energy...
Adiabatic potential energy curves of the singlet Pi and Delta gerade states of the Lithium dimer
Open Research Data
open access
- P. Jasik
- J. Sienkiewicz
- series: Adiabatic potential energy curves of the Lithium dimer
Adiabatic potential energy curves of the singlet Pi and Delta gerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries singlet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
Adiabatic potential energy curves of the triplet Sigma ungerade plus states of the Lithium dimer
Open Research Data
open access
- P. Jasik
- J. Sienkiewicz
- series: Adiabatic potential energy curves of the Lithium dimer
Adiabatic potential energy curves of the triplet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the five excited states of the symmetry triplet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
Adiabatic potential energy curves of the singlet Sigma gerade plus states of the Lithium dimer
Open Research Data
open access
- P. Jasik
- J. Sienkiewicz
- series: Adiabatic potential energy curves of the Lithium dimer
Adiabatic potential energy curves of the singlet Sigma gerade plus states have been calculated for the Lithium dimer. The results of the ground state and three excited states of the symmetry singlet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
Adiabatic potential energy curves of the singlet Sigma ungerade plus states of the Lithium dimer
Open Research Data
open access
- P. Jasik
- J. Sienkiewicz
- series: Adiabatic potential energy curves of the Lithium dimer
Adiabatic potential energy curves of the singlet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the three excited states of the symmetry singlet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
Adiabatic potential energy curves of the triplet Sigma gerade plus states of the Lithium dimer
Open Research Data
open access
- P. Jasik
- J. Sienkiewicz
- series: Adiabatic potential energy curves of the Lithium dimer
Adiabatic potential energy curves of the triplet Sigma gerade plus states have been calculated for the Lithium dimer. The results of the three excited states of the symmetry triplet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
Adiabatic potential energy curves of the triplet Pi and Delta ungerade states of the Lithium dimer
Open Research Data
open access
- P. Jasik
- J. Sienkiewicz
- series: Adiabatic potential energy curves of the Lithium dimer
Adiabatic potential energy curves of the triplet Pi and Delta ungerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries triplet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
Potential energy curves of the doublet Sigma gerade plus states of the Lithium dimer cation
Open Research Data
open access
- P. Jasik
- J. Wilczyński
- J. Sienkiewicz
- series: Adiabatic potential energy curves of the Lithium dimer cation (Li2+)
Adiabatic potential energy curves of the doublet Sigma gerade plus (dSg+) states have been calculated for the Lithium dimer cation (Li2+). The results of the ground state and four excited states of the symmetry doublet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
Potential energy curves of the doublet Sigma ungerade plus states of the Lithium dimer cation
Open Research Data
open access
- P. Jasik
- J. Wilczyński
- J. Sienkiewicz
- series: Adiabatic potential energy curves of the Lithium dimer cation (Li2+)
Adiabatic potential energy curves of the doublet Sigma ungerade plus (dSu+) states have been calculated for the Lithium dimer cation (Li2+). The results of the five excited states of the symmetry doublet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
Potential energy curves of the doublet Pi and Delta gerade states of the Lithium dimer cation
Open Research Data
open access
- P. Jasik
- J. Wilczyński
- J. Sienkiewicz
- series: Adiabatic potential energy curves of the Lithium dimer cation (Li2+)
Adiabatic potential energy curves of the doublet Pi and Delta gerade (dPg and dDg) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
Potential energy curves of the doublet Pi and Delta ungerade states of the Lithium dimer cation
Open Research Data
open access
- P. Jasik
- J. Wilczyński
- J. Sienkiewicz
- series: Adiabatic potential energy curves of the Lithium dimer cation (Li2+)
Adiabatic potential energy curves of the doublet Pi and Delta ungerade (dPu and dDu) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
Potential energy curves and spectroscopic parameters of the diatomic silver anion and neutral silver dimer
Open Research Data
open access
- P. Jasik
- J. Franz
- D. Kędziera
- T. Kilich
- J. Kozicki
- J. Sienkiewicz
- series: Spontaneous electron emission versus dissociation in internally hot silver dimer anions
The process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
Adiabatic potential energy curves of the 3, 4 and 5^1Σ^+ excited states of LiCs molecule
Open Research Data
open access
- P. Jasik
- J. Sienkiewicz
Adiabatic potential energy curves of the 3, 4, and 5^1Σ^+ excited states have been calculated for the LiCs molecule. The results of three excited states of the symmetry Σ^+ have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons with atomic...
Potential energy curve, rovibrational energies and nuclear wave functions of 2 singlet Pi state in KLi dimer
Open Research Data
open access
- P. Jasik
- J. Kozicki
- T. Kilich
- J. Sienkiewicz
- N. Henriksen
This data sets contains potential energy curve, energy levels and nuclear wave functions of rovibrational states of KLi dimer in 2 singlet Pi electronic state. Potential energy curve (PEC) for the electronic state was calculated in the Born-Oppenheimer approximation by the means of effective core potentials and MRCI method. Nuclear wave functions and...
Full CI ground state potential energy curves and one-electron relativistic corrections for hydrogen molecule in various basis sets
Open Research Data
open access
- T. Kilich
This dataset consists of Full CI ground state Born-Oppenheimer potential energy curves and one-electron relativistic corrections for hydrogen dimer. Nonrelativistic energies, as well as one electron relativistic corrections (treated perturbatively with help of the Cowan-Griffin Hamiltonian) are presented for internuclear distances between 0.8 and 10...
Autocorrelation function for the chosen effective potential of the diatomic silver anion
Open Research Data
open access
- P. Jasik
- J. Franz
- D. Kędziera
- T. Kilich
- J. Kozicki
- J. Sienkiewicz
- series: Spontaneous electron emission versus dissociation in internally hot silver dimer anions
The process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
The rovibrational energy levels of the diatomic silver anion and neutral silver dimer
Open Research Data
open access
- P. Jasik
- J. Franz
- D. Kędziera
- T. Kilich
- J. Kozicki
- J. Sienkiewicz
- series: Spontaneous electron emission versus dissociation in internally hot silver dimer anions
The process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
Continuum orbitals in low energy scattering of electrons from Ar, Kr, Xe, Rn and Og atoms
Open Research Data
open access
The dataset includes relativistic continuum electron wave functions (continuum orbitals, continuum spinors) for elastic scattering of electrons from Argon (Ar), Krypton (Kr), Xenon (Xe), Radon (Rn) and Oganesson (Og) atoms, calculated using the Multiconfiguration Dirac-Hartree-Fock method (MCDHF), at very low electron energies (0.0001 - 0.001 eV). Only...
A Fortran-95 algorithm to solve the three-dimensional Higgs boson equation in the de Sitter space-time
Open Research Data
open access
- J. Macias-Diaz
- G. Graff
A numerically efficient finite-difference technique for the solution of a fractional extension of the Higgs boson equation in the de Sitter space-time is designed. The model under investigation is a multidimensional equation with Riesz fractional derivatives of orders in (0,1)U(1,2], which considers a generalized potential and a time-dependent diffusion...
Visualization of the surface of the Nafion membrane
Open Research Data
open access
- A. Zieliński
- J. Ryl
- series: Scanning Probe Microscopies data
Fuel cells use the chemical energy of hydrogen or other fuels to produce electricity. If the fuel is hydrogen, the only products are electricity, water and heat. Fuel cells are unique in the variety of their potential applications, they can use a wide variety of fuels. They are also highly scalable devices that can power both cars and mobile phones....
The spontaneous electron emission and rotational predissociation lifetimes of the diatomic silver anion
Open Research Data
open access
- P. Jasik
- J. Franz
- D. Kędziera
- T. Kilich
- J. Kozicki
- J. Sienkiewicz
- series: Spontaneous electron emission versus dissociation in internally hot silver dimer anions
The process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
Optimization of the femtosecond laser impulse for excitation and the spin-orbit-mediated dissociation in the NaRb molecule
Open Research Data
open access
High accuracy ab initio potential energy curves (1tSigma+, 2sSigma+, 1tPi), electronic transition dipole moment function (1tSigma+ - 1tPi), and spin-orbit coupling (2sSigma+ - 1tPi) have been calculated for the NaRb molecule. The time-dependent excitation and dissociation processes in the polar alkali diatomic NaRb molecule and the quantum properties...
Case Study NEB Atlas / part II - Autodesk Forma analysis / Garnizon district in Gdansk, Poland
Open Research Data
embargo
- J. Martyniuk-Pęczek
- M. Kamal
- I. Sujatmiko
The data present the results of the work on the analysis of modern settlements. The goal of this part of the research was to analyze housing estates already in place in various European cities. Analyses were performed in real time using artificial intelligence, and responses were searched for sun hours, daylight potential, noise, wind, and microclimate....
Case Study NEB Atlas / part II - Autodesk Forma analysis / BedZED, London
Open Research Data
embargo
- J. Martyniuk-Pęczek
- M. Kamal
- I. Sujatmiko
The data presents the results of work on the analysis of contemporary neighbourhoods. The aim of this part of the research was to analysis housing estates already existed in various cities in Europe. The analyses ware done in real time with AI and powered for key factors such as sun hours, daylight potential, noise, wind, and microclimate. These data...
Case Study NEB Atlas / part II - Autodesk Forma analysis / Seestadt Aspern, Vienna, Austria
Open Research Data
embargo
- J. Martyniuk-Pęczek
- I. Sujatmiko
- M. Kamal
The data present the results of the work on the analysis of modern settlements. The goal of this part of the research was to analyze housing estates already in place in various European cities. Analyses were performed in real time using artificial intelligence, and responses were searched for sun hours, daylight potential, noise, wind, and microclimate....
Case Study NEB Atlas / part II - Autodesk Forma (formerly Spacemaker) / Battersea Power Station Development, London
Open Research Data
embargo
- J. Martyniuk-Pęczek
- M. Kamal
- I. Sujatmiko
The data presents the results of work on the analysis of contemporary neighbourhoods. The aim of this part of the research was to analysis housing estates already existed in various cities in Europe. The analyses ware done in real time with AI and powered for key factors such as sun hours, daylight potential, noise, wind, and microclimate. These data...
Case Study NEB Atlas / part II - Autodesk Forma analysis / ZAC de Bonne, Grenoble, France
Open Research Data
embargo
- J. Martyniuk-Pęczek
- M. Kamal
- I. Sujatmiko
The data presents the results of work on the analysis of contemporary neighbourhoods. The aim of this part of the research was to analysis housing estates already existed in various cities in Europe. The analyses ware done in real time with AI and powered for key factors such as sun hours, daylight potential, noise, wind, and microclimate. These data...
Case Study NEB Atlas / part II - Autodesk Forma analysis / Brunnshög district in Lund, Sweden
Open Research Data
embargo
- J. Martyniuk-Pęczek
- M. Kamal
- I. Sujatmiko
The data presents the results of work on the analysis of contemporary neighbourhoods. The aim of this part of the research was to analysis housing estates already existed in various cities in Europe. The analyses ware done in real time with AI and powered for key factors such as sun hours, daylight potential, noise, wind, and microclimate. These data...
Case Study NEB Atlas / part II - Autodesk Forma analysis / Västra Hamnen, Malmö, Sweden.
Open Research Data
embargo
- J. Martyniuk-Pęczek
- I. Sujatmiko
- M. Kamal
The data present the results of the work on the analysis of modern settlements. The goal of this part of the research was to analyze housing estates already in place in various European cities. Analyses were performed in real time using artificial intelligence, and responses were searched for sun hours, daylight potential, noise, wind, and microclimate....
Case Study NEB Atlas / part II - Autodesk Forma analysis / Hammarby-Sjöstad, Stockholm, Sweden.
Open Research Data
embargo
- J. Martyniuk-Pęczek
- M. Kamal
- I. Sujatmiko
The data present the results of the work on the analysis of modern settlements. The goal of this part of the research was to analyze housing estates already in place in various European cities. Analyses were performed in real time using artificial intelligence, and responses were searched for sun hours, daylight potential, noise, wind, and microclimate....
Case Study NEB Atlas / part II - Autodesk Forma analysis / Pilestredet Park, Oslo, Norway.
Open Research Data
embargo
- J. Martyniuk-Pęczek
- I. Sujatmiko
- M. Kamal
The data present the results of the work on the analysis of modern settlements. The goal of this part of the research was to analyze housing estates already in place in various European cities. Analyses were performed in real time using artificial intelligence, and responses were searched for sun hours, daylight potential, noise, wind, and microclimate....
Case Study NEB Atlas / part II - Autodesk Forma analysis / King’s Cross, London, UK.
Open Research Data
embargo
- J. Martyniuk-Pęczek
- I. Sujatmiko
- M. Kamal
The data present the results of the work on the analysis of modern settlements. The goal of this part of the research was to analyze housing estates already in place in various European cities. Analyses were performed in real time using artificial intelligence, and responses were searched for sun hours, daylight potential, noise, wind, and microclimate....
Case Study NEB Atlas / part II - Autodesk Forma analysis / Oceanhamnen, Helsingborg, Sweden
Open Research Data
embargo
- J. Martyniuk-Pęczek
- I. Sujatmiko
- M. Kamal
The data present the results of the work on the analysis of modern settlements. The goal of this part of the research was to analyze housing estates already in place in various European cities. Analyses were performed in real time using artificial intelligence, and responses were searched for sun hours, daylight potential, noise, wind, and microclimate....
Case Study NEB Atlas / part II - Autodesk Forma analysis / La Courrouze district in Rennes, France
Open Research Data
embargo
- J. Martyniuk-Pęczek
- I. Sujatmiko
- M. Kamal
The data present the results of the work on the analysis of modern settlements. The goal of this part of the research was to analyze housing estates already in place in various European cities. Analyses were performed in real time using artificial intelligence, and responses were searched for sun hours, daylight potential, noise, wind, and microclimate....
Non-adiabatic coupling elements between the diatomic silver anion and neutral silver dimer plus continuum electron
Open Research Data
open access
- P. Jasik
- J. Franz
- D. Kędziera
- T. Kilich
- J. Kozicki
- J. Sienkiewicz
- series: Spontaneous electron emission versus dissociation in internally hot silver dimer anions
The process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
The luminescence study of Sc2(1–x)Ga2xO3:Cr3+/4+ coumpounds
Open Research Data
open access
- N. Majewska
- S. Mahlik
The growing interest in the use of near-infrared (NIR) radiation for spectroscopy, optical communication, and medical applications spanning both NIR-I (700–900 nm) and NIR-II (900–1700 nm) has driven the need for new NIR light sources. NIR phosphor-converted light-emitting diodes (pc-LEDs) are expected to replace traditional lamps mainly due to their...

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Search results for: ENERGY POTENTIAL