Nuclear quadrupole coupling of O-17 and S-33 in ionic solids: Invalidation of the Sternheimer model by short-range corrections

Nuclear quadrupole coupling of O-17 and S-33 in ionic solids: Invalidation of the Sternheimer model by short-range corrections

Electronic structure calculations of electric field gradients (EFG) at the nuclei of the anions F-, O2-, and S2- for distorted octahedral environments representing the condensed phases of LiF, MgO, and MgS show dominant short-range corrections to the Sternheimer model. In this model, the EFG at the...

Полное описание

Библиографические подробности
Главные авторы:	Calandra, P, Domene, C, Fowler, P, Madden, P
Формат:	Journal article
Язык:	English
Опубликовано:	2002

Схожие документы

Dipole and quadrupole polarization in ionic systems: Ab initio studies
по: Jemmer, P, и др.
Опубликовано: (1999)

Carl Sternheim's aesthetics in theory and practice
по: Williams, R
Опубликовано: (1974)

Quadrupole polarization in simulations of ionic systems: Application to AgCl
по: Wilson, M, и др.
Опубликовано: (1996)

GW method with the self-consistent Sternheimer equation
по: Giustino, F, и др.
Опубликовано: (2010)

GW method with the self-consistent Sternheimer equation
по: Giustino, F, и др.
Опубликовано: (2010)

A transferable representation of the induced multipoles in ionic crystals
по: Domene, C, и др.
Опубликовано: (2002)

Nuclear quadrupole coupling constants/
по: 253318 Lucken, Edwin Anthony Charles, и др.
Опубликовано: (1969)

Nuclear quadrupole resonance spectroscopy/
по: 264799 Das, T. P., и др.
Опубликовано: (1958)

Electronic excitations in semiconductors and insulators using the Sternheimer-GW method
по: Lambert, H, и др.
Опубликовано: (2014)

Nuclear quadrupole resonance /
по: Weiss, A.
Опубликовано: (1972)

Dielectric screening in extended systems using the self-consistent Sternheimer equation and localized basis sets
по: Huebener, H, и др.
Опубликовано: (2012)

Table of nuclear quadrupole resonance frequencies/
по: 218347 Biryukov, I. P., и др.
Опубликовано: (1969)

Polarization effects in ionic solids and melts
по: Salanne, M, и др.
Опубликовано: (2011)

Ab initio Sternheimer-GW method for quasiparticle calculations using plane waves
по: Lambert, H, и др.
Опубликовано: (2013)

B. Mulder, Andries Sternheim. Een Nederlands vakbondsman in de Frankfurter Schule
по: M.H.J. Buiting
Опубликовано: (1993-01-01)

B. Mulder, Andries Sternheim. Een Nederlands vakbondsman in de Frankfurter Schule
по: M.H.J. Buiting
Опубликовано: (1993-01-01)

B. Mulder, Andries Sternheim. Een Nederlands vakbondsman in de Frankfurter Schule
по: M.H.J. Buiting
Опубликовано: (1993-01-01)

Exploring systematic discrepancies in DFT calculations of chlorine nuclear quadrupole couplings
по: Socha, O, и др.
Опубликовано: (2017)

Performance of local orbital basis sets in the self-consistent Sternheimer method for dielectric matrices of extended systems
по: Huebener, H, и др.
Опубликовано: (2012)

Short-range contributions to the polarization of cations
по: Domene, C, и др.
Опубликовано: (2001)

Nuclear quadrupole double resonance
по: Mailer, J
Опубликовано: (1977)

Overlap model and ab initio cluster calculations of polarisabilities of ions in solids
по: Domene, C, и др.
Опубликовано: (1999)

Nuclear Quadrupole Resonance for Substance Detection
по: Kelsey L. Horace-Herron, и др.
Опубликовано: (2024-01-01)

Solid-liquid coexistence in ionic systems and the properties of the interface
по: Lanning, O, и др.
Опубликовано: (2004)

Time-dependent density functional theory using atomic orbitals and the self-consistent Sternheimer equation
по: Huebener, H, и др.
Опубликовано: (2014)

‘Invalidé’ or ‘Invalid’? Critical Reflections on Health, Self, & Identity”
по: DAVE MERCER
Опубликовано: (2015-10-01)

NUCLEAR ELECTRIC QUADRUPOLE INTERACTION IN LNVO4
по: Bleaney, B, и др.
Опубликовано: (1983)

Double Nuclear Quadrupole Resonance in Biological Compounds
по: MacKay, A
Опубликовано: (1975)

The Sternheimer approach to all-electron real-space density-functional perturbation theory with atomic basis set
по: Honghui Shang
Опубликовано: (2021-01-01)

DIELECTRIC-CONSTANT OF A HARD-SPHERE FLUID WITH INDUCED DIPOLES AND QUADRUPOLES - COMMENT
по: Logan, D, и др.
Опубликовано: (1992)

Schöne Seele, denkende Körper: Das Weiblichketisbild in Sophie La Roches Geschichte des Fräuleins von Sternheim.
по: Dolors Sabate Planes
Опубликовано: (2000-01-01)

Invalid Permutation Tests
по: Mikel Aickin
Опубликовано: (2010-01-01)

Table of nuclear magnetic dipole and electric quadrupole moments
по: Stone, N
Опубликовано: (2005)

Collective excitations corresponding to quadrupole nuclear surface vibrations/
по: Davydov, A. S. (Aleksandr Sergeevich), 1912-

Detector of hazardous substances based on nuclear quadrupole resonance
по: A. A. Tirkiya, и др.
Опубликовано: (2017-12-01)

The first quadrupole excitations in spherical nuclei and nuclear pairing
по: Saperstein E. E., и др.
Опубликовано: (2012-12-01)

Static quadrupole moments of nuclear chiral doublet bands
по: Q.B. Chen, и др.
Опубликовано: (2020-08-01)

DIFFERENCES IN THE PERCEPTION OF SOCIAL SUPPORT BETWEEN THE YOUTH WITH INVALIDITY AND THE YOUTH WITHOUT INVALIDITY
по: Izeta Husić-Đuzić, и др.
Опубликовано: (2018-04-01)

DIELECTRIC-CONSTANT OF A HARD-SPHERE FLUID WITH INDUCED DIPOLES AND QUADRUPOLES - COMPARISON OF THEORY AND SIMULATION
по: Logan, D, и др.
Опубликовано: (1992)

THEORY OF SINGLE PASSAGE NUCLEAR MAGNETIC-RESONANCE ON ORIENTED NUCLEI WITH SMALL ELECTRIC QUADRUPOLE INTERACTIONS
по: Callagha, P, и др.
Опубликовано: (1974)