A review on non‐relativistic, fully numerical electronic structure calculations on atoms and diatomic molecules
S Lehtola - International Journal of Quantum Chemistry, 2019 - Wiley Online Library
The need for accurate calculations on atoms and diatomic molecules is motivated by the
opportunities and challenges of such studies. The most commonly used approach for all …
opportunities and challenges of such studies. The most commonly used approach for all …
Atmospheres and radiating surfaces of neutron stars
AY Potekhin - Physics-Uspekhi, 2014 - iopscience.iop.org
The early 21st century is witnessing a breakthrough in the study of the thermal radiation of
neutron stars. Observations with modern space telescopes have provided a wealth of …
neutron stars. Observations with modern space telescopes have provided a wealth of …
[HTML][HTML] Accurate and balanced anisotropic Gaussian type orbital basis sets for atoms in strong magnetic fields
W Zhu, SB Trickey - The Journal of Chemical Physics, 2017 - pubs.aip.org
In high magnetic field calculations, anisotropic Gaussian type orbital (AGTO) basis functions
are capable of reconciling the competing demands of the spherically symmetric Coulombic …
are capable of reconciling the competing demands of the spherically symmetric Coulombic …
Comparative studies of density-functional approximations for light atoms in strong magnetic fields
W Zhu, L Zhang, SB Trickey - Physical Review A, 2014 - APS
For a wide range of magnetic fields, 0≤ B≤ 2000 au, we present a systematic comparative
study of the performance of different types of density-functional approximations in light atoms …
study of the performance of different types of density-functional approximations in light atoms …
Structure, dynamics and quantum chaos in atoms and molecules under strong magnetic fields
M Sadhukhan, BM Deb - Journal of the Indian Chemical Society, 2021 - Elsevier
Although studies on the interaction of atoms and molecules with external magnetic fields are
more than 100 years old, beginning from the pre-quantum-mechanical days to the era of …
more than 100 years old, beginning from the pre-quantum-mechanical days to the era of …
Helium atoms in a strong magnetic field studied with the Lagrange-mesh method
M Hesse, D Baye - Journal of Physics B: Atomic, Molecular and …, 2004 - iopscience.iop.org
The helium atom in a strong magnetic field B⩽ 2.35× 10 5 T is studied with the help of the
Lagrange-mesh method, in the case of an infinitely heavy nucleus. An approximate …
Lagrange-mesh method, in the case of an infinitely heavy nucleus. An approximate …
Quantum chaos in atoms and molecules under strong external fields
M Sadhukhan, BM Deb - Theoretical Chemistry Accounts, 2023 - Springer
Nonlinear dynamics in quantum theory is an old area which has received considerable
recent impetus. In particular, the possibility and detection of chaos in the quantum realm is a …
recent impetus. In particular, the possibility and detection of chaos in the quantum realm is a …
A fast parallel code for calculating energies and oscillator strengths of many-electron atoms at neutron star magnetic field strengths in adiabatic approximation
D Engel, M Klews, G Wunner - Computer Physics Communications, 2009 - Elsevier
We have developed a new method for the fast computation of wavelengths and oscillator
strengths for medium-Z atoms and ions, up to iron, at neutron star magnetic field strengths …
strengths for medium-Z atoms and ions, up to iron, at neutron star magnetic field strengths …
Quantum Monte Carlo studies of the ground states of heavy atoms in neutron-star magnetic fields
S Bücheler, D Engel, J Main, G Wunner - Physical Review A—Atomic …, 2007 - APS
The “released-phase” diffusion quantum Monte Carlo method is used to calculate the
ground-state energies of atoms with nuclear charges from Z= 2, 3, 4,…, 26 for magnetic field …
ground-state energies of atoms with nuclear charges from Z= 2, 3, 4,…, 26 for magnetic field …
Fourth-rank hypermagnetizability of medium-size planar conjugated molecules and fullerene
GI Pagola, S Pelloni, MC Caputo, MB Ferraro… - Physical Review A …, 2005 - APS
The fourth-rank hypermagnetizability tensor of a series of planar conjugated molecules—ie,
aromatic naphthalene, nonaromatic borazine, antiaromatic flattened cyclo-octatetraene …
aromatic naphthalene, nonaromatic borazine, antiaromatic flattened cyclo-octatetraene …