prikaz prve stranice dokumenta Benchmarking van der Waals functionals with noncontact RPA calculations on graphene-Ag(111)
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Benchmarking van der Waals functionals with noncontact RPA calculations on graphene-Ag(111)
Physical review B: Condensed matter and materials physics, 90 (2014), 7; 075414. https://doi.org/10.1103/PhysRevB.90.075414
Lončarić, Ivor; Despoja, Vito

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Lončarić, I. i Despoja, V. (2014). Benchmarking van der Waals functionals with noncontact RPA calculations on graphene-Ag(111). Physical review B: Condensed matter and materials physics, 90. (7). doi: 10.1103/PhysRevB.90.075414

Lončarić, Ivor i Vito Despoja. "Benchmarking van der Waals functionals with noncontact RPA calculations on graphene-Ag(111)." Physical review B: Condensed matter and materials physics, vol. 90, br. 7, 2014. https://doi.org/10.1103/PhysRevB.90.075414

Lončarić, Ivor i Vito Despoja. "Benchmarking van der Waals functionals with noncontact RPA calculations on graphene-Ag(111)." Physical review B: Condensed matter and materials physics 90, br. 7 (2014). https://doi.org/10.1103/PhysRevB.90.075414

Lončarić, I. i Despoja, V. (2014) 'Benchmarking van der Waals functionals with noncontact RPA calculations on graphene-Ag(111)', Physical review B: Condensed matter and materials physics, 90(7). doi: 10.1103/PhysRevB.90.075414

Lončarić I, Despoja V. Benchmarking van der Waals functionals with noncontact RPA calculations on graphene-Ag(111). Physical review B: Condensed matter and materials physics [Internet]. 2014. [pristupljeno 13.11.2024.];90(7). doi: 10.1103/PhysRevB.90.075414

I. Lončarić i V. Despoja, "Benchmarking van der Waals functionals with noncontact RPA calculations on graphene-Ag(111)", Physical review B: Condensed matter and materials physics, vol. 90, br. 7, 2014. [Online]. Dostupno na: https://urn.nsk.hr/urn:nbn:hr:217:409151. [Citirano: 13.11.2024.]

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Podaci o radu
Naslov (engleski)Benchmarking van der Waals functionals with noncontact RPA calculations on graphene-Ag(111)
AutorIvor Lončarić
AutorVito Despoja
Autorova ustanovaSveučilište u Zagrebu
Prirodoslovno-matematički fakultet
(Fizički odsjek)
Znanstveno / umjetničko
područje, polje i grana		PRIRODNE ZNANOSTI
Fizika
Sažetak (engleski)
We have benchmarked long range behavior of seven different van der Waals functionals comparing them with our ACF-RPA correlation calculations for graphene on a Ag(111) system. Correlation given by the second version of van der Waals density functional vdW-DF2 agrees remarkably well with our random phase approximation (RPA) calculation in the long range region. In the intermediate and shorter range regions combining vdW-DF2 correlation with proper exchange functional becomes important. We compared the results of the van der Waals functionals in this region to the previous RPA calculations and to some extent to experimental observations, and calculated that the combined vdW-DF2(C09x) or rev-vdW-DF2 functionals show satisfactory behavior.
Ključne riječi (engleski)
Jezikengleski
Vrsta publikacijeZnanstveni rad - Izvorni znanstveni rad
Status objaveObjavljen
Vrsta recenzijeRecenziran - međunarodna recenzija
Verzija publikacijeObjavljena verzija rada (izdavačev PDF)
Naslov časopisaPhysical review B: Condensed matter and materials physics
Brojčani podacivol. 90, br. 7, 075414
p-ISSN1098-0121
e-ISSN1550-235X
DOIhttps://doi.org/10.1103/PhysRevB.90.075414
URN:NBNurn:nbn:hr:217:409151
Datum objave publikacije2014
URL dokumentahttps://journals.aps.org/prb/abstract/10.1103/PhysRevB.90.075414
Vrsta resursaTekst
Prava pristupaOtvoreni pristup
Uvjeti korištenjaIkona licence Zaštićeno autorskim pravom.
Javna napomenaCopyright (2014) by the American Physical Society. Received 15 May 2014; revised manuscript received 1 August 2014; published 18 August 2014.
Datum i vrijeme pohrane2019-12-02 20:32:57