Quantum critical phenomena and stability of atomic and molecular ions

S Kais, P Serra - International Reviews in Physical Chemistry, 2000 - Taylor & Francis
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 …

Bound and resonance states near the critical charge region in two-electron atoms

LG Jiao, RY Zheng, A Liu, HE Montgomery Jr, YK Ho - Physical Review A, 2022 - APS
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 …

Finite‐Size Scaling for Atomic and Molecular Systems

S Kais, P Serra - Advances in chemical physics, 2003 - Wiley Online Library
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 …

Scaling of the von Neumann entropy in a two-electron system near the ionization threshold

O Osenda, P Serra - Physical Review A—Atomic, Molecular, and Optical …, 2007 - APS
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 …

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 …

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 …

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 …

Ground-state stability and criticality of two-electron atoms with screened Coulomb potentials using the B-splines basis set

P Serra, S Kais - Journal of Physics B: Atomic, Molecular and …, 2012 - iopscience.iop.org
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 …

Electronic structure critical parameters for the lithium isoelectronic series

P Serra, JP Neirotti, S Kais - Physical review letters, 1998 - APS
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 …

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 …