Quantum critical phenomena and stability of atomic and molecular ions
In this review we discuss quantum phase transitions and the mapping between symmetry
breaking of electronic structure configurations at the large-dimension limit and mean-field …
breaking of electronic structure configurations at the large-dimension limit and mean-field …
Bound and resonance states near the critical charge region in two-electron atoms
The critical nuclear charge Z c of the two-electron atoms below which the ground state
transforms into a shape resonance and the critical stability of the system around Z c have …
transforms into a shape resonance and the critical stability of the system around Z c have …
Finite‐Size Scaling for Atomic and Molecular Systems
We show how the finite‐size scaling ansatz can be combined with the variational method to
extract information about critical behavior of quantum Hamiltonians. This approach is based …
extract information about critical behavior of quantum Hamiltonians. This approach is based …
Scaling of the von Neumann entropy in a two-electron system near the ionization threshold
The critical behavior of entanglement near a quantum phase transition has been studied
intensely over the past few years. Few-body quantum systems show critical behavior near …
intensely over the past few years. Few-body quantum systems show critical behavior near …
Finite size scaling for the atomic Shannon-information entropy
Q Shi, S Kais - The Journal of chemical physics, 2004 - pubs.aip.org
We have developed the finite size scaling method to treat the criticality of Shannon-
information entropy for any given quantum Hamiltonian. This approach gives very accurate …
information entropy for any given quantum Hamiltonian. This approach gives very accurate …
Dramatic changes in electronic structure revealed by fractionally charged nuclei
AJ Cohen, P Mori-Sánchez - The Journal of Chemical Physics, 2014 - pubs.aip.org
Discontinuous changes in the electronic structure upon infinitesimal changes to the
Hamiltonian are demonstrated. These are revealed in one and two electron molecular …
Hamiltonian are demonstrated. These are revealed in one and two electron molecular …
Critical nuclear charges for N‐electron atoms
AV Sergeev, S Kais - International journal of quantum chemistry, 1999 - Wiley Online Library
One‐particle model with a spherically‐symmetric screened Coulomb potential is proposed
to describe the motion of a loosely bound electron in a multielectron atom when the nuclear …
to describe the motion of a loosely bound electron in a multielectron atom when the nuclear …
Ground-state stability and criticality of two-electron atoms with screened Coulomb potentials using the B-splines basis set
We applied the finite-size scaling method using the B-splines basis set to construct the
stability diagram for two-electron atoms with a screened Coulomb potential. The results of …
stability diagram for two-electron atoms with a screened Coulomb potential. The results of …
Electronic structure critical parameters for the lithium isoelectronic series
The finite-size scaling method is used to calculate the critical parameters for the lithium
isoelectronic series. The critical nuclear charge, which is the minimum charge necessary to …
isoelectronic series. The critical nuclear charge, which is the minimum charge necessary to …
Discontinuity of Shannon information entropy for two-electron atoms
Q Shi, S Kais - Chemical physics, 2005 - Elsevier
Atomic Shannon information entropies are computed using Hyllerass-type basis functions
for the helium isoelectronic series. As one varies the nuclear charge Z for the two-electron …
for the helium isoelectronic series. As one varies the nuclear charge Z for the two-electron …