Many-body theory calculations of positronic-bonded molecular dianions
The energetic stability of positron–dianion systems [A−; e+; A−] is studied via many-body
theory, where A− includes H−, F−, Cl−, and the molecular anions (CN)− and (NCO) …
theory, where A− includes H−, F−, Cl−, and the molecular anions (CN)− and (NCO) …
Multicomponent wavefunction-in-DFT embedding for positronium molecules
This work presents an extension of the projector operator embedding scheme of Manby et
al.[J. Chem. Theory Comput. 8, 2564 (2012)] in a multicomponent (MC) framework. Here, a …
al.[J. Chem. Theory Comput. 8, 2564 (2012)] in a multicomponent (MC) framework. Here, a …
Capturing Correlation Effects in Positron Binding to Atoms and Molecules
S Upadhyay, A Benali, KD Jordan - Journal of Chemical Theory …, 2024 - ACS Publications
A major challenge in contemporary electronic structure theory involves the development of
methods to describe in a balanced manner the contribution of correlation effects to energy …
methods to describe in a balanced manner the contribution of correlation effects to energy …
Two‐Positron‐bonded Dihalides: Ps2XY (X, Y=F, Cl, Br)
This study explores the energetic stability and physical properties of Ps 2 XY Ps_2XY
complexes formed by two halide anions (X−, Y−= F−, X−, Br−), and two positrons (Ps …
complexes formed by two halide anions (X−, Y−= F−, X−, Br−), and two positrons (Ps …
On the nature of the two-positron bond: evidence for a novel bond type
The nature of the newly proposed two-positron bond in (PsH) 2, which is composed of two
protons, four electrons and two positrons, is considered in this contribution. The study is …
protons, four electrons and two positrons, is considered in this contribution. The study is …
Theoretical Treatment of Weakly Bound Fermions to Atoms, Molecules, and Clusters
S Upadhyay - 2023 - search.proquest.com
Certain atoms, molecules, and clusters can bind an excess electron or positron in a diffuse
orbital. Given the weak binding energy of these states, usually on the order of tens to …
orbital. Given the weak binding energy of these states, usually on the order of tens to …
Chemistry and physics of positrons interacting with atoms, molecules, and fields
JA CHARRY MARTINEZ - 2023 - orbilu.uni.lu
The positron is the antiparticle of the electron, possesing the same mass and obeying the
same spin statistics but with an opposite charge. When a positron and an electron collide …
same spin statistics but with an opposite charge. When a positron and an electron collide …