2011-02-08
AUTHORS ABSTRACTIn this work, we review the theory of the electron density in quantum chemistry and discuss to which extent relativistic effects are recovered by approximate relativistic Hamiltonians. For this purpose, we give an overview on different approximations to the fully relativistic many-electron Hamiltonian. In addition, we present new results, considering correlation effects on the electron density of a transition metal complex. More... »
PAGES99-142
Electron Density and Chemical Bonding II
ISBN
978-3-642-30807-9
978-3-642-30808-6
http://scigraph.springernature.com/pub.10.1007/430_2010_37
DOIhttp://dx.doi.org/10.1007/430_2010_37
DIMENSIONShttps://app.dimensions.ai/details/publication/pub.1002565966
JSON-LD is the canonical representation for SciGraph data.
TIP: You can open this SciGraph record using an external JSON-LD service: JSON-LD Playground Google SDTT
[
{
"@context": "https://springernature.github.io/scigraph/jsonld/sgcontext.json",
"about": [
{
"id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/02",
"inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/",
"name": "Physical Sciences",
"type": "DefinedTerm"
},
{
"id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/0202",
"inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/",
"name": "Atomic, Molecular, Nuclear, Particle and Plasma Physics",
"type": "DefinedTerm"
}
],
"author": [
{
"affiliation": {
"alternateName": "Laboratorium f\u00fcr Physikalische Chemie, ETH Zurich, Wolfgang-Pauli-Strasse 10, 8093, Zurich, Switzerland",
"id": "http://www.grid.ac/institutes/grid.5801.c",
"name": [
"Laboratorium f\u00fcr Physikalische Chemie, ETH Zurich, Wolfgang-Pauli-Strasse 10, 8093, Zurich, Switzerland"
],
"type": "Organization"
},
"familyName": "Fux",
"givenName": "Samuel",
"id": "sg:person.012410277504.35",
"sameAs": [
"https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012410277504.35"
],
"type": "Person"
},
{
"affiliation": {
"alternateName": "Laboratorium f\u00fcr Physikalische Chemie, ETH Zurich, Wolfgang-Pauli-Strasse 10, 8093, Zurich, Switzerland",
"id": "http://www.grid.ac/institutes/grid.5801.c",
"name": [
"Laboratorium f\u00fcr Physikalische Chemie, ETH Zurich, Wolfgang-Pauli-Strasse 10, 8093, Zurich, Switzerland"
],
"type": "Organization"
},
"familyName": "Reiher",
"givenName": "Markus",
"id": "sg:person.01265561117.03",
"sameAs": [
"https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01265561117.03"
],
"type": "Person"
}
],
"datePublished": "2011-02-08",
"datePublishedReg": "2011-02-08",
"description": "In this work, we review the theory of the electron density in quantum chemistry and discuss to which extent relativistic effects are recovered by approximate relativistic Hamiltonians. For this purpose, we give an overview on different approximations to the fully relativistic many-electron Hamiltonian. In addition, we present new results, considering correlation effects on the electron density of a transition metal complex.",
"editor": [
{
"familyName": "Stalke",
"givenName": "Dietmar",
"type": "Person"
}
],
"genre": "chapter",
"id": "sg:pub.10.1007/430_2010_37",
"inLanguage": "en",
"isAccessibleForFree": false,
"isPartOf": {
"isbn": [
"978-3-642-30807-9",
"978-3-642-30808-6"
],
"name": "Electron Density and Chemical Bonding II",
"type": "Book"
},
"keywords": [
"electron density",
"quantum theory",
"relativistic effects",
"electron Hamiltonian",
"correlation effects",
"quantum chemistry",
"relativistic Hamiltonian",
"different approximations",
"Hamiltonian",
"transition metal complexes",
"new results",
"density",
"metal complexes",
"theory",
"approximation",
"chemistry",
"effect",
"work",
"complexes",
"results",
"overview",
"addition",
"purpose"
],
"name": "Electron Density in Quantum Theory",
"pagination": "99-142",
"productId": [
{
"name": "dimensions_id",
"type": "PropertyValue",
"value": [
"pub.1002565966"
]
},
{
"name": "doi",
"type": "PropertyValue",
"value": [
"10.1007/430_2010_37"
]
}
],
"publisher": {
"name": "Springer Nature",
"type": "Organisation"
},
"sameAs": [
"https://doi.org/10.1007/430_2010_37",
"https://app.dimensions.ai/details/publication/pub.1002565966"
],
"sdDataset": "chapters",
"sdDatePublished": "2022-06-01T22:32",
"sdLicense": "https://scigraph.springernature.com/explorer/license/",
"sdPublisher": {
"name": "Springer Nature - SN SciGraph project",
"type": "Organization"
},
"sdSource": "s3://com-springernature-scigraph/baseset/20220601/entities/gbq_results/chapter/chapter_306.jsonl",
"type": "Chapter",
"url": "https://doi.org/10.1007/430_2010_37"
}
]
Download the RDF metadata as: json-ld nt turtle xml License info
JSON-LD is a popular format for linked data which is fully compatible with JSON.
curl -H 'Accept: application/ld+json' 'https://scigraph.springernature.com/pub.10.1007/430_2010_37'
N-Triples is a line-based linked data format ideal for batch operations.
curl -H 'Accept: application/n-triples' 'https://scigraph.springernature.com/pub.10.1007/430_2010_37'
Turtle is a human-readable linked data format.
curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1007/430_2010_37'
RDF/XML is a standard XML format for linked data.
curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1007/430_2010_37'
This table displays all metadata directly associated to this object as RDF triples.
90 TRIPLES
23 PREDICATES
48 URIs
41 LITERALS
7 BLANK NODES