<?xml version="1.0" encoding="ISO-8859-1"?><article xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
<front>
<journal-meta>
<journal-id>0035-001X</journal-id>
<journal-title><![CDATA[Revista mexicana de física]]></journal-title>
<abbrev-journal-title><![CDATA[Rev. mex. fis.]]></abbrev-journal-title>
<issn>0035-001X</issn>
<publisher>
<publisher-name><![CDATA[Sociedad Mexicana de Física]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S0035-001X2017000300297</article-id>
<title-group>
<article-title xml:lang="en"><![CDATA[Diffusion Monte Carlo study of actinide monohydrides and monofluorides]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Elkahwagy]]></surname>
<given-names><![CDATA[Nagat]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Ismail]]></surname>
<given-names><![CDATA[Atif]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
<xref ref-type="aff" rid="Aaf"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Maize]]></surname>
<given-names><![CDATA[S.M.A.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Mahmoud]]></surname>
<given-names><![CDATA[K.R.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Kafrelsheikh University Faculty of Science Department of Physics]]></institution>
<addr-line><![CDATA[ ]]></addr-line>
<country>Egypt</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,Umm Al Qura University Faculty of Applied Sciences Department of Physics]]></institution>
<addr-line><![CDATA[ ]]></addr-line>
<country>Saudi Arabia</country>
</aff>
<aff id="Af3">
<institution><![CDATA[,Menoufia University Faculty of Science Department of Physics]]></institution>
<addr-line><![CDATA[ ]]></addr-line>
<country>Egypt</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>06</month>
<year>2017</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>06</month>
<year>2017</year>
</pub-date>
<volume>63</volume>
<numero>3</numero>
<fpage>297</fpage>
<lpage>302</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_arttext&amp;pid=S0035-001X2017000300297&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_abstract&amp;pid=S0035-001X2017000300297&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_pdf&amp;pid=S0035-001X2017000300297&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract Ground state total energies, bond lengths, bond dissociation energies, and dipole moments for early actinide monohydrides and monofluorides have been calculated by using the diffusion Monte Carlo (DMC) method with LC-BLYP functional. The calculated results are compared with previous theoretical calculations at various levels of theory. Our results show that the DMC method employing LC-BLYP functional at the optimal value of the range separation parameter is capable of providing a reasonable description of early actinide containing molecules and their bonding properties.]]></p></abstract>
<kwd-group>
<kwd lng="en"><![CDATA[Diffusion Monte Carlo method]]></kwd>
<kwd lng="en"><![CDATA[actinide monohydrides]]></kwd>
<kwd lng="en"><![CDATA[actinide monofluorides]]></kwd>
<kwd lng="en"><![CDATA[bond length]]></kwd>
<kwd lng="en"><![CDATA[dissociation energy]]></kwd>
<kwd lng="en"><![CDATA[dipole moment]]></kwd>
</kwd-group>
</article-meta>
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