Basis-set convergence of the molecular electric dipole moment

1999 ◽  
Vol 111 (10) ◽  
pp. 4424-4430 ◽  
Author(s):  
Asger Halkier ◽  
Wim Klopper ◽  
Trygve Helgaker ◽  
Poul Jo/rgensen
Keyword(s):  
Dipole Moment ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Basis Set ◽  
Set Convergence

scholarly journals Electric Properties of Molecule Zr2Fe Based on the Full Relativistic Theory

Molecules ◽  
2019 ◽  
Vol 24 (6) ◽  
pp. 1127
Author(s):  
Jiangfeng Song ◽  
Li Zhang ◽  
Xianggang Kong ◽  
Xiaoyu Hu ◽  
Daqiao Meng ◽  
...  
Keyword(s):  
Dipole Moment ◽  
Electric Field ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Relativistic Theory ◽  
Electric Properties ◽  
Basis Set ◽  
Dipole Polarizability ◽  
Electric Field Gradients ◽  
Field Gradients

The present work is devoted to the study of the electric properties: electric dipole moment, electric quadrupole moment, electric field gradients and electric dipole polarizability of molecule Zr2Fe on base of the full relativistic theory with basis set 3–21G. The electric dipole moment of Zr2Fe is symmetrical to the axis of C 2 V —the vector sum of two projections for two chemical bond FeZr (3.2883 Å), based on when there is charge distribution. The force constant k 2 is directly connected with electric field gradients.

scholarly journals Neutron electric dipole moment using lattice QCD simulations at the physical point

2021 ◽  
Vol 103 (5) ◽  
Author(s):  
C. Alexandrou ◽  
A. Athenodorou ◽  
K. Hadjiyiannakou ◽  
A. Todaro
Keyword(s):  
Dipole Moment ◽  
Lattice Qcd ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Neutron Electric Dipole Moment ◽  
Physical Point

A Magnetic Superatomic Dimer with an Intense Internal Electric Dipole Moment

2021 ◽  
Vol 125 (3) ◽  
pp. 816-824
Author(s):  
Dinesh Bista ◽  
Turbasu Sengupta ◽  
Arthur C. Reber ◽  
Shiv N. Khanna
Keyword(s):  
Dipole Moment ◽  
Electric Dipole Moment ◽  
Electric Dipole

scholarly journals Electric dipole moment as descriptor for interfacial Dzyaloshinskii-Moriya interaction

2020 ◽  
Vol 4 (2) ◽  
Author(s):  
Hongying Jia ◽  
Bernd Zimmermann ◽  
Gregor Michalicek ◽  
Gustav Bihlmayer ◽  
Stefan Blügel
Keyword(s):  
Dipole Moment ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Moriya Interaction
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