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Implementation of a DFT-Based Method for the Calculation of the Zeeman g-Tensor in Periodic Systems with the Use of Numerical and Slater-Type Atomic Orbitals
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/(sici)1097-461x(1996)60:1<467::aid-qua45>3.0.co;2-6openalex-snapshot
On the lowest electronic states of the C2F radical
inferredcites →https://doi.org/10.1002/(sici)1097-461x(1996)60:7<1679::aid-qua50>3.0.co;2-topenalex-snapshot
The electronicg-tensor of MgF: A comparison of ROHF and MRD?CI level results
inferredcites →https://doi.org/10.1002/3527601678openalex-snapshot
Calculation of NMR and EPR Parameters
inferredcites →https://doi.org/10.1002/qua.560550503openalex-snapshot
Ab initio study of molecular g‐tensors
inferredcites →https://doi.org/10.1007/978-1-4615-7419-4_2openalex-snapshot
An Overview of Molecular Quantum Mechanics
inferredcites →https://doi.org/10.1016/0927-0256(96)00008-0openalex-snapshot
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
inferredcites →https://doi.org/10.1021/ja00456a028openalex-snapshot
Titanium difluoride and titanium trifluoride molecules: electron spin resonance spectra in rare-gas matrices at 4 K
inferredcites →https://doi.org/10.1021/jp010457aopenalex-snapshot
Calculation of the EPR g-Tensors of High-Spin Radicals with Density Functional Theory
inferredcites →https://doi.org/10.1021/jp800494mopenalex-snapshot
Implementation of a Density Functional Theory-Based Method for the Calculation of the Hyperfine A-tensor in Periodic Systems with the Use of Numerical and Slater Type Atomic Orbitals: Application to Paramagnetic Defects
inferredcites →https://doi.org/10.1021/jp963060topenalex-snapshot
Calculation of the G-Tensor of Electron Paramagnetic Resonance Spectroscopy Using Gauge-Including Atomic Orbitals and Density Functional Theory
inferredcites →https://doi.org/10.1051/jphysrad:01937008010039700openalex-snapshot
Théorie quantique des courants interatomiques dans les combinaisons aromatiques
inferredcites →https://doi.org/10.1063/1.2135290openalex-snapshot
Relativistic two-component calculations of electronic g-tensors that include spin polarization
inferredcites →https://doi.org/10.1063/1.3022743openalex-snapshot
Methods of Molecular Quantum Mechanics
inferredcites →https://doi.org/10.1063/1.472460openalex-snapshot
The zero-order regular approximation for relativistic effects: The effect of spin–orbit coupling in closed shell molecules
inferredcites →https://doi.org/10.1063/1.473077openalex-snapshot
Multireference configuration interaction calculations of electronic g-tensors for NO2, H2O+, and CO+
inferredcites →https://doi.org/10.1063/1.474590openalex-snapshot
Density functional calculations of molecular g-tensors in the zero-order regular approximation for relativistic effects
inferredcites →https://doi.org/10.1063/1.476193openalex-snapshot
Electron spin resonance g tensors from general Hartree–Fock calculations
inferredcites →https://doi.org/10.1080/00268977400100711openalex-snapshot
Self-consistent perturbation theory of diamagnetism
inferredcites →https://doi.org/10.1088/0022-3719/21/17/007openalex-snapshot
ESR of an O3-centre in KCl
inferredcites →https://doi.org/10.1088/0022-3719/5/13/012openalex-snapshot
A local exchange-correlation potential for the spin polarized case. i
inferredcites →https://doi.org/10.1088/0305-4608/16/2/002openalex-snapshot
Symmetrised method for the calculation of the band structure of noncollinear magnets
inferredcites →https://doi.org/10.1088/0305-4608/18/3/018openalex-snapshot
Density functional theory of non-collinear magnetism
inferredcites →https://doi.org/10.1088/0953-8984/3/35/005openalex-snapshot
Quadratic integration over the three-dimensional Brillouin zone
inferredcites →https://doi.org/10.1103/physrev.140.a1133openalex-snapshot
Self-Consistent Equations Including Exchange and Correlation Effects
inferredcites →https://doi.org/10.1103/physrev.177.129openalex-snapshot
ESR Spectrum and Structure of HC N− in KCl at 4°K
inferredcites →https://doi.org/10.1103/physrevb.21.2222openalex-snapshot
Validity of the frozen-core approximation and pseudopotential theory for cohesive energy calculations
inferredcites →https://doi.org/10.1103/physrevb.44.7888openalex-snapshot
Precise density-functional method for periodic structures
inferredcites →https://doi.org/10.1103/physrevb.47.558openalex-snapshot
Ab initio molecular dynamics for liquid metals
inferredcites →https://doi.org/10.1103/physrevb.49.14251openalex-snapshot
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
inferredcites →https://doi.org/10.1103/physrevb.50.17953openalex-snapshot
Projector augmented-wave method
inferredcites →https://doi.org/10.1103/physrevb.54.11169openalex-snapshot
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
inferredcites →https://doi.org/10.1103/physrevb.56.13556openalex-snapshot
Relativistic calculations on the adsorption of CO on the (111) surfaces of Ni, Pd, and Pt within the zeroth-order regular approximation
inferredcites →https://doi.org/10.1103/physrevb.59.1758openalex-snapshot
From ultrasoft pseudopotentials to the projector augmented-wave method
inferredcites →https://doi.org/10.1103/physrevb.73.115113openalex-snapshot
First-principles calculation of the EPR g tensor in extended periodic systems
inferredcites →https://doi.org/10.1103/physrevb.74.245103openalex-snapshot
First-principles calculations of hyperfine parameters with the Gaussian and augmented-plane-wave method: Application to radicals embedded in a crystalline environment
inferredcites →https://doi.org/10.1103/physrevlett.88.086403openalex-snapshot
First-Principles Theory of the EPR g Tensor in Solids: Defects in Quartz
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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A Combined Solid-State 1h, 13c, 17o Nmr and Periodic Dft Study of Hyperfine Coupling Tensors in Paramagnetic Copper(Ii) Compounds
inferred← citeshttps://doi.org/10.1002/mrc.2655openalex-snapshot
First-principles calculation of parameters of electron paramagnetic resonance spectroscopy in solids
inferred← citeshttps://doi.org/10.1002/mrc.5407openalex-snapshot
Solid‐state 35/37 Cl NMR detection of chlorine atoms directly bound to paramagnetic cobalt(II) ions in powder samples
inferred← citeshttps://doi.org/10.1007/978-94-007-4893-4_7openalex-snapshot
Ab Initio and Density Functional Calculations of Electronic g-Tensors for Organic Radicals
inferred← citeshttps://doi.org/10.1016/j.ssnmr.2024.101945openalex-snapshot
A combined solid-state 1H, 13C, 17O NMR and periodic DFT study of hyperfine coupling tensors in paramagnetic copper(II) compounds
inferred← citeshttps://doi.org/10.1021/ct100046aopenalex-snapshot
The Calculation of NMR Chemical Shifts in Periodic Systems Based on Gauge Including Atomic Orbitals and Density Functional Theory
inferred← citeshttps://doi.org/10.1021/jp109517gopenalex-snapshot
Assessment of Periodic and Cluster-in-Vacuo Models for First Principles Calculation of EPR Parameters of Paramagnetic Defects in Crystals: Rh2+ Defects in NaCl as Case Study
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Synthesis and Properties of NHC-Supported Palladium(I) Dimers with Bridging Allyl, Cyclopentadienyl, and Indenyl Ligands
inferred← citeshttps://doi.org/10.1038/s41524-018-0132-5openalex-snapshot
First principles calculation of spin-related quantities for point defect qubit research
inferred← citeshttps://doi.org/10.1039/c2cp41086aopenalex-snapshot
Accurate spin–orbit and spin–other-orbit contributions to the g-tensor for transition metal containing systems
inferred← citeshttps://doi.org/10.1063/1.4824745openalex-snapshot
Electron spin resonance parameters of cation vacancies in tin dioxide doped with fluorine and hydrogen
inferred← citeshttps://doi.org/10.1103/physrevb.81.235202openalex-snapshot
Electron spin resonance parameters of bulk oxygen vacancy in semiconducting tin dioxide
inferred← citeshttps://doi.org/10.1103/physrevmaterials.6.104609openalex-snapshot
Calculated electron paramagnetic resonance g tensor and hyperfine parameters for zinc vacancy and N related defects in ZnO
inferred← citeshttps://doi.org/10.1139/v11-050openalex-snapshot
An improved scheme for the calculation of NMR chemical shifts in periodic systems based on gauge including atomic orbitals and density functional theory
inferred← citeshttps://doi.org/10.1515/nanoph-2019-0154openalex-snapshot
Ab initio theory of the nitrogen‐vacancy center in diamond
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