X
Search Filters
Format Format
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
physics, atomic, molecular & chemical (13) 13
chemistry, physical (7) 7
optics (7) 7
to be checked by faculty (7) 7
atoms (6) 6
physics - atomic physics (6) 6
coupled-cluster method (5) 5
relativistic effects (5) 5
mathematical analysis (4) 4
physical chemistry (4) 4
physics (4) 4
atomic physics (3) 3
electronic-structure (3) 3
excitation (3) 3
heavy elements (3) 3
implementation (3) 3
relativism (3) 3
relativity (3) 3
spectroscopy (3) 3
[ chim.theo ] chemical sciences/theoretical and/or physical chemistry (2) 2
ab-initio (2) 2
barium (2) 2
basis-sets (2) 2
cd dimer (2) 2
chemical sciences (2) 2
chemistry (2) 2
coupled cluster methods (2) 2
dipole moments (2) 2
electric dipoles (2) 2
electron correlation (2) 2
electronic structure (2) 2
elements (2) 2
energies (2) 2
excited-states (2) 2
gaussian-basis set (2) 2
gaussian-basis sets (2) 2
hg dimer (2) 2
laser cooling (2) 2
lifetime measurements (2) 2
molecular physics and chemical physics (2) 2
or physical chemistry (2) 2
organic chemistry (2) 2
parity (2) 2
periodic table (2) 2
physics - chemical physics (2) 2
potential energy curves (2) 2
quantum physics (2) 2
spectra (2) 2
theoretical and (2) 2
triple-zeta (2) 2
uranium compounds (2) 2
wave-functions (2) 2
zeta basis-sets (2) 2
zn dimer (2) 2
[ chim ] chemical sciences (1) 1
accuracy (1) 1
alkali atoms (1) 1
alkaline-earth monohalides (1) 1
all-electron (1) 1
analysis (1) 1
applications of nonlinear dynamics and chaos theory (1) 1
approximation (1) 1
astatine (1) 1
atom (1) 1
atom pair (1) 1
atomic and molecular physics (1) 1
atomic parity nonconservation (1) 1
atomic properties (1) 1
atomic, molecular, optical and plasma physics (1) 1
atomic/molecular structure and spectra (1) 1
barium fluorides (1) 1
basis-set convergence (1) 1
calibration (1) 1
chemical properties (1) 1
chemical-characterization (1) 1
chemistry, multidisciplinary (1) 1
chirale verbindung (1) 1
clusters (1) 1
coherence length (1) 1
cold (1) 1
collaboration (1) 1
complexes (1) 1
configuration (1) 1
configuration interaction (1) 1
configuration-interaction (1) 1
consistent basis-sets (1) 1
constants (1) 1
cooling (1) 1
cooperation (1) 1
corrections (1) 1
correlated molecular calculations (1) 1
correlation (1) 1
coupled cluster (1) 1
coupled-cluster calculations (1) 1
cryogenic beam (1) 1
currents (1) 1
dark matter (1) 1
deceleration (1) 1
degenerate perturbation-theory (1) 1
densities (1) 1
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, 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
Molecular Physics: Open shells, open questions: special issue in honour of Hans Jørgen Aagaard Jensen, ISSN 0026-8976, 01/2017, Volume 115, Issue 1-2, pp. 138 - 143
Journal Article
Nuclear Physics News, ISSN 1061-9127, 01/2019, Volume 29, Issue 1, pp. 16 - 20
Theoretical investigation of atomic and chemical properties of the elements at the low edge of the periodic table, called transactinide or superheavy elements... 
Organic chemistry | Heavy elements | Rutherfordium | Electronic structure | Periodic table | Relativity | Tables | Chemical properties
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 12/2014, Volume 16, Issue 46, p. 25650
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 11/2014, Volume 16, Issue 46, pp. 25650 - 25650
Correction for ‘Strong enhancement of parity violation effects in chiral uranium compounds’ by Michael Wormit et al., Phys. Chem. Chem. Phys., 2014, 16,... 
or physical chemistry | Chemical Sciences | Theoretical and
Journal Article
Theoretical Chemistry Accounts, ISSN 1432-881X, 6/2011, Volume 129, Issue 3, pp. 651 - 656
Potential energy curves of the electronic ground states of the group 12 dimers Zn2 and Cd2 were computed at the CCSD(T) level of theory, including full triple... 
Potential energy curves | Hg dimer | Theoretical and Computational Chemistry | Chemistry | Physical Chemistry | Atomic/Molecular Structure and Spectra | Inorganic Chemistry | Zn dimer | Cd dimer | Organic Chemistry | Relativistic effects
Journal Article
Physical Review A - Atomic, Molecular, and Optical Physics, ISSN 1050-2947, 08/2009, Volume 80, Issue 2
Relativistic and electron correlation effects are investigated for the closed-shell superheavy-element monohydrides RgH, 112H(+), 113H, 114H(+), 117H, 118H(+),... 
CHEMICAL-CHARACTERIZATION | CONFIGURATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ATOMS | BASIS-SETS | SPECTROSCOPIC CONSTANTS | OPTICS | GOLD CHEMISTRY | COUPLED-CLUSTER CALCULATIONS | STATIC DIPOLE POLARIZABILITIES | ELECTRONIC-STRUCTURE | MOLECULAR-PROPERTIES
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 11/2014, Volume 16, Issue 46, pp. 2565 - 2565
Correction for 'Strong enhancement of parity violation effects in chiral uranium compounds' by Michael Wormit et al. , Phys. Chem. Chem. Phys. , 2014, 16 ,... 
Uranium compounds | Parity | Physical chemistry
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 11/2018, Volume 140, Issue 44, pp. 14609 - 14613
We report the first ionization potentials (IP1) of the heavy actinides, fermium (Fm, atomic number Z = 100), mendelevium (Md, Z = 101), nobelium (No, Z = 102),... 
SURFACE-IONIZATION | ELEMENTS | SPECTROSCOPY | CHEMISTRY | ENERGIES | To be checked by Faculty | ATOM | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 2009, Volume 480, Issue 1, pp. 49 - 51
Accurate calculations, reproducing the electron affinities of Sn and Pb to 5%, show that element 114 does not bind an electron. The electron affinity (EA) of... 
GAUSSIAN-BASIS SET | COUPLED-CLUSTER METHOD | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | ATOMS | IONS | ENERGIES
Journal Article
Chemical Physics, ISSN 0301-0104, 02/2012, Volume 395, Issue 1, pp. 104 - 107
The polarizabilities of Ga, In and Tl are calculated with high precision. The In and Tl values fall within experimental error bars, with precision four times... 
Polarizabilities | Coupled cluster methods | WAVE-FUNCTIONS | COUPLED-CLUSTER METHOD | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | GAUSSIAN-BASIS SETS
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 07/2014, Volume 16, Issue 32, pp. 17043 - 17051
Journal Article
Physical Review A - Atomic, Molecular, and Optical Physics, ISSN 1050-2947, 04/2007, Volume 75, Issue 4
The electronic spectrum of atomic nobelium (element 102) is calculated in preparation for a planned experiment. The intermediate-Hamiltonian (IH)... 
IONIZATION ENERGIES | EXCITATION-ENERGIES | BARIUM | DIRAC-FOCK | COUPLED-CLUSTER METHOD | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | SECTOR | ALKALI ATOMS | OPTICS | ELECTRONIC-STRUCTURE
Journal Article
The journal of physical chemistry. A, ISSN 1089-5639, 03/2020
Accurate predictions of hyperfine structure (HFS) constants are important in many areas of chemistry and physics, from the determination of nuclear electric... 
Journal Article
Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), ISSN 1432-881X, 06/2011, Volume 129, Issue 3-5, p. 651
Potential energy curves of the electronic ground states of the group 12 dimers Zn.sub.2 and Cd.sub.2 were computed at the CCSD(T) level of theory, including... 
Force and energy
Journal Article
EPJ Web of Conferences, ISSN 2101-6275, 12/2016, Volume 131, p. 5001
The first ionization potential (IP1) of element 103, lawrencium (Lr), has been successfully determined for the first time by using a newly developed method... 
First ionization potential | Heavy elements | Lawrencium | Periodic table | Mathematical analysis | Surface ionization | Relativism | Atomic properties | Lutetium | Relativistic effects
Conference Proceeding
International Journal of Quantum Chemistry, ISSN 0020-7608, 11/2009, Volume 109, Issue 13, pp. 2909 - 2915
The intermediate Hamiltonian state universal (Hilbert‐space) coupled‐cluster method is presented, using a formalism similar to that developed for the valence... 
intermediate Hamiltonian | coupled cluster | Hilbert space | Coupled cluster | Intermediate Hamiltonian | MATHEMATICS, INTERDISCIPLINARY APPLICATIONS | QUANTUM SCIENCE & TECHNOLOGY | SINGLE | GENERAL-MODEL-SPACE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | SYSTEMS | DEGENERATE PERTURBATION-THEORY | EXCITED-STATES
Journal Article
Physical Review A - Atomic, Molecular, and Optical Physics, ISSN 1050-2947, 2006, Volume 74, Issue 6
Relativistic energy shifts of atomic excitation energies, showing the dependence of these energies on the value of the fine-structure constant alpha, are... 
MERCURY | COUPLED-CLUSTER METHOD | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | QSO ABSORPTION-LINES | ALL-ELECTRON | OPTICS | SPECTRA | FUNDAMENTAL CONSTANTS
Journal Article
No results were found for your search.

Cannot display more than 1000 results, please narrow the terms of your search.