(Q58010302)

English

Configuration interaction calculation of electronicg tensors in transition metal complexes

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title

Configuration interaction calculation of electronicg tensors in transition metal complexes (English)

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main subject

condensed matter physics

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1 reference

Frank Neese

1

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publication date

2001

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published in

International Journal of Quantum Chemistry

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volume

83

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issue

3-4

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page(s)

104-114

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cites work

Calculation of Zero-Field Splittings, g-Values, and the Relativistic Nephelauxetic Effect in Transition Metal Complexes. Application to High-Spin Ferric Complexes

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Crossref

reference URL

https://api.crossref.org/works/10.1002%2FQUA.1202

retrieved

21 January 2018

Automatic Fundamental Calculations of Molecular Structure

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Crossref

reference URL

https://api.crossref.org/works/10.1002%2FQUA.1202

retrieved

21 January 2018

One- and two-electron integrals over cartesian gaussian functions

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stated in

Crossref

reference URL

https://api.crossref.org/works/10.1002%2FQUA.1202

retrieved

21 January 2018

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

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stated in

Crossref

reference URL

https://api.crossref.org/works/10.1002%2FQUA.1202

retrieved

21 January 2018

The Purple Mixed-Valence CuACenter in Nitrous-oxide Reductase: EPR of the Copper-63-, Copper-65-, and Both Copper-65- and [15N]Histidine-Enriched Enzyme and a Molecular Orbital Interpretation

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1002%2FQUA.1202

retrieved

21 January 2018

Density Functional Calculations of Electronicg-Tensors Using Spin−Orbit Pseudopotentials and Mean-Field All-Electron Spin−Orbit Operators

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stated in

Crossref

reference URL

https://api.crossref.org/works/10.1002%2FQUA.1202

retrieved

21 January 2018

A mean-field spin-orbit method applicable to correlated wavefunctions

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stated in

Crossref

reference URL

https://api.crossref.org/works/10.1002%2FQUA.1202

retrieved

21 January 2018

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DOI

10.1002/QUA.1202

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(Q58010302)

Configuration interaction calculation of electronicg tensors in transition metal complexes

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