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<!DOCTYPE article PUBLIC "-//NLM//DTD JATS (Z39.96) Journal Publishing DTD v1.3 20210610//EN" "https://jats.nlm.nih.gov/publishing/1.3/JATS-journalpublishing1-3.dtd">
<article article-type="research-article" dtd-version="1.3" xml:lang="en">
  <front>
    <journal-meta>
      <journal-title-group>
        <journal-title>St. Petersburg Polytechnic University Journal: Physics and Mathematics</journal-title>
        <trans-title-group xml:lang="ru">
          <trans-title>Научно-технические ведомости СПбГПУ. Физико-математические науки</trans-title>
        </trans-title-group>
      </journal-title-group>
      <issn pub-type="epub">2304-9782, 2618-8686, 2405-7223</issn>
    </journal-meta>
    <article-meta>
      <article-id pub-id-type="publisher-id">9</article-id>
      <title-group>
        <article-title>Theoretical investigation of electron excitations in photoionization of nanoscale carbon-based systems</article-title>
        <trans-title-group xml:lang="ru">
          <trans-title>Теоретическое исследование электронных возбуждений при фотоионизации наноразмерных углеродных соединений</trans-title>
        </trans-title-group>
      </title-group>
      <contrib-group>
        <contrib contrib-type="author">
          <name>
            <surname>Verkhovtsev</surname>
            <given-names>Alexei</given-names>
          </name>
          <xref ref-type="aff" rid="aff1"/>
          <email>verkhovtsev@mbnexplorer.com</email>
        </contrib>
        <contrib contrib-type="author">
          <name>
            <surname>Korol</surname>
            <given-names>Andrei</given-names>
          </name>
          <xref ref-type="aff" rid="aff1"/>
          <email>korol@mbnexplorer.com </email>
        </contrib>
        <contrib contrib-type="author">
          <contrib-id contrib-id-type="orcid">0000-0003-1602-6144</contrib-id>
          <contrib-id contrib-id-type="scopus">7003387326</contrib-id>
          <name>
            <surname>Solov'yov</surname>
            <given-names>Andrei</given-names>
          </name>
          <xref ref-type="aff" rid="aff1"/>
          <email>solovyov@mbnresearch.com</email>
        </contrib>
      </contrib-group>
      <aff id="aff1">MBN Research Center at Frankfurt Innovation Center of Biotechnology</aff>
      <pub-date publication-format="electronic" date-type="pub" iso-8601-date="2013-09-10">
        <day>10</day>
        <month>09</month>
        <year>2013</year>
      </pub-date>
      <issue>3</issue>
      <issue-id pub-id-type="publisher-id">177</issue-id>
      <fpage>80</fpage>
      <lpage>91</lpage>
      <abstract xml:lang="en">
        <p>We present the results of investigation of electron excitations in various carbon-based nanoscale systems in the process of photoionization. As a case in point, we consider a number of highly symmetric fullerenes, namely C[20], C[60] and C[80], as well as aromatic hydrocarbons: benzene (C[6]H[6]) and coronene (C[24]H[12]). The calculations are performed within the model approach, based on the plasmon resonance approximation, and the ab initio framework as well. Analysis of the results demonstrates that the main contribution to the photoionization spectra of nanoscale carbon systems is due to collective excitations of delocalized electrons, known as plasmons. Results of the model-based calculations are in close agreement with those of the more accurate quantum-chemical calculations and correspond also to the existing experimental data.</p>
      </abstract>
      <kwd-group xml:lang="en">
        <kwd>fullerene</kwd>
        <kwd>aromatic hydrocarbon</kwd>
        <kwd>plasmon</kwd>
        <kwd>electron excitations</kwd>
        <kwd>ab initio methods</kwd>
        <kwd>plasmon resonance approximation</kwd>
        <kwd>photoionization</kwd>
      </kwd-group>
    </article-meta>
  </front>
</article>
