X
Search Filters
Format Format
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
analysis (13) 13
physics, atomic, molecular & chemical (12) 12
chemistry, physical (9) 9
geochemistry & geophysics (7) 7
geophysics (6) 6
gold (6) 6
clusters (5) 5
index medicus (5) 5
triple-zeta (5) 5
chemistry (4) 4
excited-states (4) 4
mathematical analysis (4) 4
methods (4) 4
potential fields (4) 4
pseudopotentials (4) 4
relativism (4) 4
relativistic effects (4) 4
algorithms (3) 3
anomalies (3) 3
basis-sets (3) 3
chemistry, multidisciplinary (3) 3
cycloaddition (3) 3
density functionals (3) 3
depth (3) 3
earth sciences (3) 3
electron affinity (3) 3
geophysics/geodesy (3) 3
geosciences, multidisciplinary (3) 3
gravimetry (3) 3
gravity (3) 3
heaviest elements (3) 3
mathematics (3) 3
mathematics, general (3) 3
methodology (3) 3
photochemie (3) 3
properties (3) 3
quadruple-zeta (3) 3
relativistic double-zeta (3) 3
zeta basis-sets (3) 3
2-dimensional magnetic bodies (2) 2
2-photon ionization spectroscopy (2) 2
ab-initio (2) 2
absorption-spectra (2) 2
ag-3 (2) 2
algebra (2) 2
alkynes (2) 2
alternative energy sources (2) 2
analytic signal (2) 2
applications of mathematics (2) 2
atoms (2) 2
atropisomerism (2) 2
au-3 (2) 2
binding-energies (2) 2
cation (2) 2
charge transfer (2) 2
chemistry, organic (2) 2
cluster anions (2) 2
cobalt (2) 2
computation (2) 2
computer chemistry (2) 2
computer simulation (2) 2
conformation analysis (2) 2
consistent basis-sets (2) 2
convergent basis-sets (2) 2
copper (2) 2
cycloadditionen (2) 2
cycloadditions (2) 2
cylinders (2) 2
deconvolution (2) 2
density functional calculations (2) 2
density functional theory (2) 2
detection (2) 2
diatomic-molecules (2) 2
dichtefunktionalrechnungen (2) 2
dipole moment (2) 2
dynamic nmr spectroscopy (2) 2
earth (2) 2
electric field gradient (2) 2
electric properties (2) 2
electronic correlations (2) 2
electronic structure (2) 2
electronic-structure (2) 2
elektronische struktur (2) 2
euler deconvolution (2) 2
excitation (2) 2
experimentelle daten (2) 2
explosives detection (2) 2
generalized gradient approximation (2) 2
genetic algorithms (2) 2
geology (2) 2
geometry (2) 2
geophysical methods (2) 2
ground-penetrating radar (2) 2
high-pressure (2) 2
initio molecular-dynamics (2) 2
integration profiles (2) 2
interoperability (2) 2
interpretation (2) 2
isomerization (2) 2
kohäsionsenergie (2) 2
more...
Language Language
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Physical Review Letters, ISSN 0031-9007, 01/2017, Volume 118, Issue 2, p. 023002
The first ionization potential (IP) and electron affinity (EA) of the gold atom have been determined to an unprecedented accuracy using relativistic coupled... 
VACUUM-POLARIZATION | STRONG COULOMB FIELD | CONFIGURATION | CHEMISTRY | ATOMS | NUCLEAR-STRUCTURE | SELF-ENERGY | LAMB-SHIFT | SCATTERING | PHYSICS, MULTIDISCIPLINARY | First ionization potential | Gold | Mathematical analysis | Quantum electrodynamics | Electron affinity | Clusters | Ionization potentials | Standards
Journal Article
Physical Review Letters, ISSN 0031-9007, 04/2019, Volume 122, Issue 16, p. 160801
Precise experimental setups for detection of variation of fundamental constants, scalar dark matter, or gravitational waves, such as laser interferometers,... 
RELATIVISTIC DOUBLE-ZETA | GAUSSIAN-BASIS SET | SPECTROSCOPY | QUADRUPLE-ZETA | MASS | TRIPLE-ZETA | LATTICE-PARAMETER | ATOMS | ELASTIC-CONSTANTS | ZETA BASIS-SETS | To be checked by Faculty | PHYSICS, MULTIDISCIPLINARY | Resonant mass detectors | Dark matter | Gravitational waves | Dependence | Materials selection | Diatomic molecules | Lattice parameters | Interferometers
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 03/2018, Volume 57, Issue 10, pp. 2570 - 2574
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 04/2018, Volume 20, Issue 14, pp. 9108 - 9114
Cationic gold-silver trimers are ideal model systems for the evaluation of relativistic electronic structure theories. The closed-shell triangles allow one to... 
Journal Article
NANOSCALE, ISSN 2040-3364, 07/2019, Volume 11, Issue 27, pp. 12878 - 12888
We present molecular beam electric deflection experiments on neutral gold-doped tin clusters. The experimental SnNAu (N = 6-16) cluster beam profiles are... 
PHYSICS, APPLIED | MATERIALS SCIENCE, MULTIDISCIPLINARY | QUADRUPLE-ZETA | TRIPLE-ZETA | NANOSCIENCE & NANOTECHNOLOGY | CONVERGENT BASIS-SETS | CHEMISTRY, MULTIDISCIPLINARY | GENERALIZED GRADIENT APPROXIMATION | ELEMENTS | PSEUDOPOTENTIALS | TEMPERATURE | CONSISTENT BASIS-SETS | ZETA BASIS-SETS | ELECTRONIC-STRUCTURE
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 12/2017, Volume 19, Issue 48, pp. 32286 - 32295
The cohesive energy of bulk copernicium is accurately determined using the incremental method within a relativistic coupled-cluster approach. For the lowest... 
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 12/2017, Volume 19, Issue 48, pp. 32286 - 32295
The cohesive energy of bulk copernicium is accurately determined using the incremental method within a relativistic coupled-cluster approach. For the lowest... 
PSEUDOPOTENTIALS | HIGH-PRESSURE | MERCURY | METALS | SOLIDS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY | CHEMISTRY, PHYSICAL | HEAVIEST ELEMENTS | ELECTRONIC CORRELATIONS | INITIO MOLECULAR-DYNAMICS | WAVE BASIS-SET | Lower bounds | Cohesion | Functionals | Enthalpy | Sublimation | Relativistic theory | Clusters | Relativism | Relativistic effects
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 05/2013, Volume 117, Issue 21, pp. 4472 - 4485
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2018, Volume 20, Issue 14, pp. 9108 - 9114
Journal Article
Physical Chemistry Chemical Physics : PCCP, ISSN 1463-9076, 01/2019, Volume 21, Issue 44, pp. 24478 - 24488
Molecular beam electric deflection experiments on neutral single copper-doped tin clusters are presented at different cryogenic nozzle temperatures. The... 
Transition metals | Computer simulation | Electron transfer | Molecular orbitals | Cryogenic temperature | Genetic algorithms | Electronic structure | Clusters | Nozzles | Density functional theory | Molecular beams | Coordination compounds | Copper | Manganese
Journal Article
Molecular Physics, ISSN 0026-8976, 03/2020, p. 1730989
Journal Article
Nuclear Physics, Section A, ISSN 0375-9474, 12/2015, Volume 944, pp. 551 - 577
The current status of relativistic electronic structure theory for superheavy elements is reviewed. Recent developments in relativistic quantum theory have... 
Superheavy elements | Relativistic and quantum electrodynamic effects | Electronic structure theory | VACUUM POLARIZATION | HEAVIEST ELEMENTS | PHYSICS, NUCLEAR | BINDING-ENERGIES | R-PROCESS | PERTURBATION-THEORY | MEAN-FIELD THEORY | STATE ELECTRON CONFIGURATION | COUPLED-CLUSTER CALCULATIONS | SELF-ENERGY | MOLECULAR-PROPERTIES | Quantum theory
Journal Article
Physical Review A - Atomic, Molecular, and Optical Physics, ISSN 1050-2947, 07/2015, Volume 92, Issue 1
Journal Article
ISSN 2040-3364, 7/2019, Volume 11, Issue 27, pp. 12878 - 12888
We present molecular beam electric deflection experiments on neutral gold-doped tin clusters. The experimental Sn N Au ( N = 6-16) cluster beam profiles are... 
Journal Article
ISSN 1463-9076, 4/2018, Volume 2, Issue 14, pp. 918 - 9114
Cationic gold-silver trimers are ideal model systems for the evaluation of relativistic electronic structure theories. The closed-shell triangles allow one to... 
Journal Article
Physical Review A - Atomic, Molecular, and Optical Physics, ISSN 1050-2947, 02/2015, Volume 91, Issue 2
Calculations of the first and second ionization potentials and electron affinities of superheavy elements 115-117 are presented. The calculations are performed... 
ATOMIC NEGATIVE-IONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY | ASTATINE | BASIS-SETS | BINDING-ENERGIES | OPTICS | DIMERS
Journal Article
PHYSICAL REVIEW A, ISSN 1050-2947, 07/2015, Volume 92, Issue 1
We investigate a number of diatomic molecular ions to search for strongly enhanced effects of variation of fundamental constants important for physics beyond... 
THRESHOLD PHOTOELECTRON-SPECTROSCOPY | DIATOMIC-MOLECULES | CORRELATED MOLECULAR CALCULATIONS | SPACE-TIME VARIATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | POTENTIAL-ENERGY CURVES | ELECTRON MASS-RATIO | OPTICS | ZETA BASIS-SETS | VARYING CONSTANTS | GAUSSIAN-BASIS SETS | EXCITED-STATES
Journal Article
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, ISSN 1463-9076, 11/2019, Volume 21, Issue 44, pp. 24478 - 24488
Molecular beam electric deflection experiments on neutral single copper-doped tin clusters are presented at different cryogenic nozzle temperatures. The... 
TRANSITION | PSEUDOPOTENTIALS | BEAM DEFLECTION | TEMPERATURE | CONSISTENT BASIS-SETS | QUADRUPLE-ZETA | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | TRIPLE-ZETA | GROUP-11 | CONVERGENT BASIS-SETS | GENERALIZED GRADIENT APPROXIMATION
Journal Article