Ontology type: schema:ScholarlyArticle
2018-08
AUTHORSIvan Maliyov, Jean-Paul Crocombette, Fabien Bruneval
ABSTRACTThe electronic stopping power, which is the energy transfer from a charged particle travelling through a material to the electrons of the material, has attracted much attention back from the early beginnings of quantum mechanics. It requires the description of the electronic excitations taking place in the target material and has been limited to model systems for a long time. With the advent of time-dependent density-functional theory (TDDFT), it is nowadays possible to provide a complete and realistic quantum-mechanical description of the phenomenon. We present here an implementation of TDDFT based on Gaussian basis for finite systems. The localized Gaussian basis has numerous advantages, such as the cheap account of core electrons, the simple implementation of the modern hybrid functionals, and the possibility of a tunable basis accuracy as a function of space. With our tool, we explore the bulk limit, the validity of the impact parameter averaging to obtain the experimental random electronic stopping power, and the connection to the simpler linear-response results for lithium metallic clusters for different ionic projectiles. More... »
PAGES172
http://scigraph.springernature.com/pub.10.1140/epjb/e2018-90289-y
DOIhttp://dx.doi.org/10.1140/epjb/e2018-90289-y
DIMENSIONShttps://app.dimensions.ai/details/publication/pub.1105878694
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/2008/0202",
"inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/",
"name": "Atomic, Molecular, Nuclear, Particle and Plasma Physics",
"type": "DefinedTerm"
},
{
"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"
}
],
"author": [
{
"affiliation": {
"alternateName": "Direction de L'\u00e9nergie Nucl\u00e9aire",
"id": "https://www.grid.ac/institutes/grid.457258.9",
"name": [
"DEN, Service de Recherches de M\u00e9tallurgie Physique, CEA, Universit\u00e9 Paris-Saclay, 91191, Gif-sur-Yvette, France"
],
"type": "Organization"
},
"familyName": "Maliyov",
"givenName": "Ivan",
"id": "sg:person.015207636523.28",
"sameAs": [
"https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.015207636523.28"
],
"type": "Person"
},
{
"affiliation": {
"alternateName": "Direction de L'\u00e9nergie Nucl\u00e9aire",
"id": "https://www.grid.ac/institutes/grid.457258.9",
"name": [
"DEN, Service de Recherches de M\u00e9tallurgie Physique, CEA, Universit\u00e9 Paris-Saclay, 91191, Gif-sur-Yvette, France"
],
"type": "Organization"
},
"familyName": "Crocombette",
"givenName": "Jean-Paul",
"id": "sg:person.016300055013.41",
"sameAs": [
"https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.016300055013.41"
],
"type": "Person"
},
{
"affiliation": {
"alternateName": "Direction de L'\u00e9nergie Nucl\u00e9aire",
"id": "https://www.grid.ac/institutes/grid.457258.9",
"name": [
"DEN, Service de Recherches de M\u00e9tallurgie Physique, CEA, Universit\u00e9 Paris-Saclay, 91191, Gif-sur-Yvette, France"
],
"type": "Organization"
},
"familyName": "Bruneval",
"givenName": "Fabien",
"id": "sg:person.01110431403.27",
"sameAs": [
"https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01110431403.27"
],
"type": "Person"
}
],
"citation": [
{
"id": "https://doi.org/10.1016/s0168-583x(97)00580-6",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1003288477"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1039/c5cp00351b",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1007547411"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1016/j.cpc.2010.04.018",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1009754618"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1039/b204199p",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1010242506"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1016/j.cpc.2016.04.003",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1010615346"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1016/j.cpc.2016.04.003",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1010615346"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1016/j.cpc.2016.04.003",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1010615346"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1016/j.cpc.2016.04.003",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1010615346"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1002/cpa.3160070404",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1011703040"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1002/cpa.3160070404",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1011703040"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1016/0168-583x(95)00258-8",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1013021786"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1016/j.nimb.2012.12.022",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1015485272"
],
"type": "CreativeWork"
},
{
"id": "sg:pub.10.1007/978-1-4615-8103-1_3",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1017591681",
"https://doi.org/10.1007/978-1-4615-8103-1_3"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1063/1.478522",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1022454536"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1016/0168-583x(92)95734-9",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1022781040"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1016/0168-583x(92)95734-9",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1022781040"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1063/1.4922489",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1025909726"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1146/annurev.physchem.55.091602.094449",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1029481697"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevlett.99.235501",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1032736708"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevlett.99.235501",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1032736708"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1063/1.3700800",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1033484545"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1063/1.4919128",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1038913072"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1016/j.chemphys.2004.05.027",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1040501999"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1016/s0168-583x(99)01007-1",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1044625975"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1016/s0168-583x(99)01007-1",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1044625975"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1088/0034-4885/70/3/r02",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1044818734"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1016/j.nimb.2010.02.091",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1049331422"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevlett.108.225504",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1049378869"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevlett.108.225504",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1049378869"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1016/j.cpc.2016.06.019",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1049751856"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1016/j.cpc.2016.06.019",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1049751856"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1016/j.cpc.2016.06.019",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1049751856"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1016/j.cpc.2016.06.019",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1049751856"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevb.58.10307",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1050167444"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevb.58.10307",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1050167444"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1002/wcms.1159",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1050571738"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1021/ct300835h",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1055424528"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1063/1.1774980",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1057820259"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1063/1.464304",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1058042314"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1063/1.470645",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1058049005"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1063/1.4758792",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1058061462"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrev.103.32",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1060417878"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrev.103.32",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1060417878"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physreva.75.042902",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1060503199"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physreva.75.042902",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1060503199"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevb.74.155112",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1060618976"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevb.74.155112",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1060618976"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevb.89.035120",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1060642729"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevb.89.035120",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1060642729"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevb.91.014306",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1060645137"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevb.91.014306",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1060645137"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevb.93.035128",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1060648609"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevb.93.035128",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1060648609"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevb.94.041108",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1060651302"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevb.94.041108",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1060651302"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevb.94.115107",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1060652078"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevb.94.115107",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1060652078"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevlett.108.213201",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1060759776"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevlett.108.213201",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1060759776"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevlett.11.26",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1060760855"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevlett.11.26",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1060760855"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevlett.52.997",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1060790340"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevlett.52.997",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1060790340"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevlett.76.1212",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1060812562"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevlett.76.1212",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1060812562"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1109/mcse.2014.55",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1061398640"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1371/journal.pone.0171820",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1084289100"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1051/anphys/192810100408",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1085295976"
],
"type": "CreativeWork"
},
{
"id": "sg:pub.10.1038/s41598-017-02780-3",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1085640612",
"https://doi.org/10.1038/s41598-017-02780-3"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevb.96.115134",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1091867325"
],
"type": "CreativeWork"
},
{
"id": "https://doi.org/10.1103/physrevb.96.115134",
"sameAs": [
"https://app.dimensions.ai/details/publication/pub.1091867325"
],
"type": "CreativeWork"
}
],
"datePublished": "2018-08",
"datePublishedReg": "2018-08-01",
"description": "The electronic stopping power, which is the energy transfer from a charged particle travelling through a material to the electrons of the material, has attracted much attention back from the early beginnings of quantum mechanics. It requires the description of the electronic excitations taking place in the target material and has been limited to model systems for a long time. With the advent of time-dependent density-functional theory (TDDFT), it is nowadays possible to provide a complete and realistic quantum-mechanical description of the phenomenon. We present here an implementation of TDDFT based on Gaussian basis for finite systems. The localized Gaussian basis has numerous advantages, such as the cheap account of core electrons, the simple implementation of the modern hybrid functionals, and the possibility of a tunable basis accuracy as a function of space. With our tool, we explore the bulk limit, the validity of the impact parameter averaging to obtain the experimental random electronic stopping power, and the connection to the simpler linear-response results for lithium metallic clusters for different ionic projectiles.",
"genre": "research_article",
"id": "sg:pub.10.1140/epjb/e2018-90289-y",
"inLanguage": [
"en"
],
"isAccessibleForFree": false,
"isPartOf": [
{
"id": "sg:journal.1129956",
"issn": [
"1155-4304",
"1286-4862"
],
"name": "The European Physical Journal B",
"type": "Periodical"
},
{
"issueNumber": "8",
"type": "PublicationIssue"
},
{
"type": "PublicationVolume",
"volumeNumber": "91"
}
],
"name": "Electronic stopping power from time-dependent density-functional theory in Gaussian basis",
"pagination": "172",
"productId": [
{
"name": "readcube_id",
"type": "PropertyValue",
"value": [
"5bbde65da04c2ede0f2ef1436c7e6105d9fb8213dc3d118d651129abbea896d5"
]
},
{
"name": "doi",
"type": "PropertyValue",
"value": [
"10.1140/epjb/e2018-90289-y"
]
},
{
"name": "dimensions_id",
"type": "PropertyValue",
"value": [
"pub.1105878694"
]
}
],
"sameAs": [
"https://doi.org/10.1140/epjb/e2018-90289-y",
"https://app.dimensions.ai/details/publication/pub.1105878694"
],
"sdDataset": "articles",
"sdDatePublished": "2019-04-11T09:52",
"sdLicense": "https://scigraph.springernature.com/explorer/license/",
"sdPublisher": {
"name": "Springer Nature - SN SciGraph project",
"type": "Organization"
},
"sdSource": "s3://com-uberresearch-data-dimensions-target-20181106-alternative/cleanup/v134/2549eaecd7973599484d7c17b260dba0a4ecb94b/merge/v9/a6c9fde33151104705d4d7ff012ea9563521a3ce/jats-lookup/v90/0000000347_0000000347/records_89790_00000003.jsonl",
"type": "ScholarlyArticle",
"url": "https://link.springer.com/10.1140%2Fepjb%2Fe2018-90289-y"
}
]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.10.1140/epjb/e2018-90289-y'
N-Triples is a line-based linked data format ideal for batch operations.
curl -H 'Accept: application/n-triples' 'https://scigraph.springernature.com/pub.10.1140/epjb/e2018-90289-y'
Turtle is a human-readable linked data format.
curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1140/epjb/e2018-90289-y'
RDF/XML is a standard XML format for linked data.
curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1140/epjb/e2018-90289-y'
This table displays all metadata directly associated to this object as RDF triples.
215 TRIPLES
21 PREDICATES
73 URIs
19 LITERALS
7 BLANK NODES