DOI: 10.1088/0953-8984/22/7/074207. Calculations for millions of atoms with density functional theory: linear scaling shows its potential

Calculations for millions of atoms with density functional theory: linear scaling shows its potential

10.1088/0953-8984/22/7/074207

Crossref journal-article

IOP Publishing

Journal of Physics: Condensed Matter (266)

Bibliography

Bowler, D. R., & Miyazaki, T. (2010). Calculations for millions of atoms with density functional theory: linear scaling shows its potential. Journal of Physics: Condensed Matter, 22(7), 074207.

Authors 2

D R Bowler (first)
T Miyazaki (additional)

References 52 Referenced 97

10.1103/PhysRevLett.76.3168
10.1103/RevModPhys.71.1085
10.1103/PhysRevLett.66.1438
10.1103/PhysRevLett.69.3547
10.1103/PhysRevB.47.10891
10.1103/PhysRevB.47.9973
10.1103/PhysRevB.48.14646
10.1103/PhysRevB.50.17611
10.1103/PhysRevB.51.10157
10.1016/S0010-4655(97)00029-5
10.1016/S0010-4655(00)00074-6
10.1016/S0010-4655(01)00164-3
10.1088/0953-8984/20/27/275223 / J. Phys.: Condens. Matter by Brázdová V (2008)
10.1016/j.cpc.2008.12.023
10.1103/PhysRevB.53.7147
10.1016/S0010-4655(99)00221-0
10.1002/(SICI)1097-461X(2000)77:5<831::AID-QUA5>3.0.CO;2-G
10.1088/0953-8984/14/11/303 / J. Phys.: Condens. Matter by Bowler D R (2002)
10.1063/1.1787832
10.1002/pssb.200541386
10.1088/0953-8984/14/11/302 / J. Phys.: Condens. Matter by Soler J M (2002)
10.1103/PhysRevB.67.155108
10.1063/1.1839852
10.1103/PhysRevB.38.12807
10.1016/0927-0256(96)00008-0
10.1103/RevModPhys.32.335
10.1103/PhysRevB.52.1640
10.1088/0953-8984/14/11/302 / J. Phys.: Condens. Matter by Soler J M (2002)
10.1143/JPSJ.76.034708
10.1103/PhysRevB.66.155115
10.1103/PhysRevB.55.13485
10.1143/JPSJ.67.3844
10.1103/PhysRevB.59.12352
10.1088/0965-0393/13/3/R01 / Model. Simul. Mater. Sci. Eng. by Pask J E (2005)
10.1016/S0010-4655(02)00461-7
10.1063/1.2949547
10.1103/PhysRevB.40.3979
10.1103/PhysRevB.62.4899
10.1088/0953-8984/20/29/294206 / J. Phys.: Condens. Matter by Torralba A S (2008)
10.1016/j.cpc.2009.06.022
10.1063/1.2796168
10.1021/ct8005425
10.1103/PhysRevB.76.115327
10.1143/JPSJ.77.123706
10.1088/0953-8984/20/29/294201 / J. Phys.: Condens. Matter by Otsuka T (2008)
10.1016/j.cpc.2007.02.075
10.1016/j.cplett.2009.04.059
10.1016/S0010-4655(98)00061-7
10.1016/S0009-2614(02)00273-7
10.1088/0953-8984/20/29/290301 / J. Phys.: Condens. Matter by Bowler D R (2008)
10.1103/PhysRevLett.85.4992
10.1021/jm060190+

Dates

Type	When
Created	15 years, 6 months ago (Feb. 3, 2010, 11:13 p.m.)
Deposited	5 years, 4 months ago (April 10, 2020, 10:26 p.m.)
Indexed	1 month ago (July 20, 2025, 12:17 a.m.)
Issued	15 years, 6 months ago (Feb. 3, 2010)
Published	15 years, 6 months ago (Feb. 3, 2010)
Published Online	15 years, 6 months ago (Feb. 3, 2010)
Published Print	15 years, 5 months ago (Feb. 24, 2010)

Funders 0

None

BibTeX

@article{Bowler_2010, title={Calculations for millions of atoms with density functional theory: linear scaling shows its potential}, volume={22}, ISSN={1361-648X}, url={http://dx.doi.org/10.1088/0953-8984/22/7/074207}, DOI={10.1088/0953-8984/22/7/074207}, number={7}, journal={Journal of Physics: Condensed Matter}, publisher={IOP Publishing}, author={Bowler, D R and Miyazaki, T}, year={2010}, month=feb, pages={074207} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        7,
        20
      ]
    ],
    "date-time": "2025-07-20T04:17:48Z",
    "timestamp": 1752985068095
  },
  "reference-count": 52,
  "publisher": "IOP Publishing",
  "issue": "7",
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        2010,
        2,
        24
      ]
    ]
  },
  "DOI": "10.1088/0953-8984/22/7/074207",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2010,
        2,
        4
      ]
    ],
    "date-time": "2010-02-04T04:13:53Z",
    "timestamp": 1265256833000
  },
  "page": "074207",
  "source": "Crossref",
  "is-referenced-by-count": 97,
  "title": "Calculations for millions of atoms with density functional theory: linear scaling shows its potential",
  "prefix": "10.1088",
  "volume": "22",
  "author": [
    {
      "given": "D R",
      "family": "Bowler",
      "sequence": "first",
      "affiliation": []
    },
    {
      "given": "T",
      "family": "Miyazaki",
      "sequence": "additional",
      "affiliation": []
    }
  ],
  "member": "266",
  "published-online": {
    "date-parts": [
      [
        2010,
        2,
        3
      ]
    ]
  },
  "reference": [
    {
      "key": "1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.76.3168"
    },
    {
      "key": "2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/RevModPhys.71.1085"
    },
    {
      "key": "3",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.66.1438"
    },
    {
      "key": "4",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.69.3547"
    },
    {
      "key": "5",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.47.10891"
    },
    {
      "key": "6",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.47.9973"
    },
    {
      "key": "7",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.48.14646"
    },
    {
      "key": "8",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.50.17611"
    },
    {
      "key": "9",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.51.10157"
    },
    {
      "key": "10",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/S0010-4655(97)00029-5"
    },
    {
      "key": "11",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/S0010-4655(00)00074-6"
    },
    {
      "key": "12",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/S0010-4655(01)00164-3"
    },
    {
      "key": "13",
      "doi-asserted-by": "crossref",
      "first-page": "275223",
      "DOI": "10.1088/0953-8984/20/27/275223",
      "volume": "20",
      "author": "Br\u00e1zdov\u00e1 V",
      "year": "2008",
      "journal-title": "J. Phys.: Condens. Matter",
      "ISSN": "http://id.crossref.org/issn/0953-8984",
      "issn-type": "print"
    },
    {
      "key": "14",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.cpc.2008.12.023"
    },
    {
      "key": "15",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.53.7147"
    },
    {
      "key": "16",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/S0010-4655(99)00221-0"
    },
    {
      "key": "17",
      "doi-asserted-by": "publisher",
      "DOI": "10.1002/(SICI)1097-461X(2000)77:5<831::AID-QUA5>3.0.CO;2-G"
    },
    {
      "key": "18",
      "doi-asserted-by": "crossref",
      "first-page": "2781",
      "DOI": "10.1088/0953-8984/14/11/303",
      "volume": "14",
      "author": "Bowler D R",
      "year": "2002",
      "journal-title": "J. Phys.: Condens. Matter",
      "ISSN": "http://id.crossref.org/issn/0953-8984",
      "issn-type": "print"
    },
    {
      "key": "19",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.1787832"
    },
    {
      "key": "20",
      "doi-asserted-by": "publisher",
      "DOI": "10.1002/pssb.200541386"
    },
    {
      "key": "21",
      "doi-asserted-by": "crossref",
      "first-page": "2745",
      "DOI": "10.1088/0953-8984/14/11/302",
      "volume": "14",
      "author": "Soler J M",
      "year": "2002",
      "journal-title": "J. Phys.: Condens. Matter",
      "ISSN": "http://id.crossref.org/issn/0953-8984",
      "issn-type": "print"
    },
    {
      "key": "22",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.67.155108"
    },
    {
      "key": "23",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.1839852"
    },
    {
      "key": "24",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.38.12807"
    },
    {
      "key": "25",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/0927-0256(96)00008-0"
    },
    {
      "key": "26",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/RevModPhys.32.335"
    },
    {
      "key": "27",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.52.1640"
    },
    {
      "key": "28",
      "doi-asserted-by": "crossref",
      "first-page": "2745",
      "DOI": "10.1088/0953-8984/14/11/302",
      "volume": "14",
      "author": "Soler J M",
      "year": "2002",
      "journal-title": "J. Phys.: Condens. Matter",
      "ISSN": "http://id.crossref.org/issn/0953-8984",
      "issn-type": "print"
    },
    {
      "key": "29",
      "doi-asserted-by": "publisher",
      "DOI": "10.1143/JPSJ.76.034708"
    },
    {
      "key": "30",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.66.155115"
    },
    {
      "key": "31",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.55.13485"
    },
    {
      "key": "32",
      "doi-asserted-by": "publisher",
      "DOI": "10.1143/JPSJ.67.3844"
    },
    {
      "key": "33",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.59.12352"
    },
    {
      "key": "34",
      "doi-asserted-by": "crossref",
      "first-page": "R71",
      "DOI": "10.1088/0965-0393/13/3/R01",
      "volume": "13",
      "author": "Pask J E",
      "year": "2005",
      "journal-title": "Model. Simul. Mater. Sci. Eng.",
      "ISSN": "http://id.crossref.org/issn/0965-0393",
      "issn-type": "print"
    },
    {
      "key": "35",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/S0010-4655(02)00461-7"
    },
    {
      "key": "36",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.2949547"
    },
    {
      "key": "37",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.40.3979"
    },
    {
      "key": "38",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.62.4899"
    },
    {
      "key": "39",
      "doi-asserted-by": "crossref",
      "first-page": "294206",
      "DOI": "10.1088/0953-8984/20/29/294206",
      "volume": "20",
      "author": "Torralba A S",
      "year": "2008",
      "journal-title": "J. Phys.: Condens. Matter",
      "ISSN": "http://id.crossref.org/issn/0953-8984",
      "issn-type": "print"
    },
    {
      "key": "40",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.cpc.2009.06.022"
    },
    {
      "key": "41",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.2796168"
    },
    {
      "key": "42",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/ct8005425"
    },
    {
      "key": "43",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.76.115327"
    },
    {
      "key": "44",
      "doi-asserted-by": "publisher",
      "DOI": "10.1143/JPSJ.77.123706"
    },
    {
      "key": "45",
      "doi-asserted-by": "crossref",
      "first-page": "294201",
      "DOI": "10.1088/0953-8984/20/29/294201",
      "volume": "20",
      "author": "Otsuka T",
      "year": "2008",
      "journal-title": "J. Phys.: Condens. Matter",
      "ISSN": "http://id.crossref.org/issn/0953-8984",
      "issn-type": "print"
    },
    {
      "key": "46",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.cpc.2007.02.075"
    },
    {
      "key": "47",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.cplett.2009.04.059"
    },
    {
      "key": "48",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/S0010-4655(98)00061-7"
    },
    {
      "key": "49",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/S0009-2614(02)00273-7"
    },
    {
      "key": "50",
      "doi-asserted-by": "crossref",
      "first-page": "290301",
      "DOI": "10.1088/0953-8984/20/29/290301",
      "volume": "20",
      "author": "Bowler D R",
      "year": "2008",
      "journal-title": "J. Phys.: Condens. Matter",
      "ISSN": "http://id.crossref.org/issn/0953-8984",
      "issn-type": "print"
    },
    {
      "key": "51",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.85.4992"
    },
    {
      "key": "52",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/jm060190+"
    }
  ],
  "container-title": "Journal of Physics: Condensed Matter",
  "original-title": [],
  "link": [
    {
      "URL": "http://stacks.iop.org/0953-8984/22/i=7/a=074207/pdf",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2020,
        4,
        11
      ]
    ],
    "date-time": "2020-04-11T02:26:59Z",
    "timestamp": 1586572019000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://iopscience.iop.org/article/10.1088/0953-8984/22/7/074207"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2010,
        2,
        3
      ]
    ]
  },
  "references-count": 52,
  "journal-issue": {
    "issue": "7",
    "published-print": {
      "date-parts": [
        [
          2010,
          2,
          24
        ]
      ]
    }
  },
  "alternative-id": [
    "S0953-8984(10)23137-5"
  ],
  "URL": "http://dx.doi.org/10.1088/0953-8984/22/7/074207",
  "relation": {},
  "ISSN": [
    "0953-8984",
    "1361-648X"
  ],
  "subject": [],
  "container-title-short": "J. Phys.: Condens. Matter",
  "published": {
    "date-parts": [
      [
        2010,
        2,
        3
      ]
    ]
  }
}