Class information for:
Level 1: KOHN SHAM EQUATION//KOHN SHAM DENSITY FUNCTIONAL THEORY//LINEAR SCALING ALGORITHMS

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
4559 1766 34.5 66%


Bar chart of Publication_year

Last years might be incomplete

Hierarchy of classes
The table includes all classes above and classes immediately below the current class.


Cluster id Level Cluster label #P
5 4 CHEMISTRY, ORGANIC//CHEMISTRY, INORGANIC & NUCLEAR//CHEMISTRY, MULTIDISCIPLINARY 1745167
3 3       PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//JOURNAL OF CHEMICAL PHYSICS//CHEMISTRY, PHYSICAL 183883
937 2             QUANTUM THEORY GRP//PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 10988
4559 1                   KOHN SHAM EQUATION//KOHN SHAM DENSITY FUNCTIONAL THEORY//LINEAR SCALING ALGORITHMS 1766

Terms with highest relevance score


rank Term termType Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 KOHN SHAM EQUATION authKW 173261 1% 48% 21
2 KOHN SHAM DENSITY FUNCTIONAL THEORY authKW 73759 0% 53% 8
3 LINEAR SCALING ALGORITHMS authKW 69156 0% 100% 4
4 LINEAR SCALING authKW 69124 1% 20% 20
5 COMPUTAT MAT address 68478 2% 11% 35
6 ORDER N METHOD authKW 62235 0% 60% 6
7 ONETEP authKW 61743 0% 71% 5
8 BOND ORDER POTENTIALS authKW 60504 0% 50% 7
9 C6B2 authKW 51867 0% 100% 3
10 LS3DF authKW 51867 0% 100% 3

Web of Science journal categories


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 Physics, Condensed Matter 11748 43% 0% 760
2 Physics, Atomic, Molecular & Chemical 3290 18% 0% 316
3 Physics, Mathematical 1973 10% 0% 175
4 Computer Science, Interdisciplinary Applications 1601 9% 0% 153
5 Chemistry, Physical 1378 21% 0% 369
6 Physics, Multidisciplinary 557 10% 0% 172
7 Mathematics, Interdisciplinary Applications 148 3% 0% 45
8 Materials Science, Multidisciplinary 112 9% 0% 163
9 Mathematics, Applied 42 3% 0% 59
10 Materials Science, Ceramics 30 1% 0% 21

Address terms


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 COMPUTAT MAT 68478 2% 11% 35
2 MINNESOTA SUPERCOMP COMP SCI 51867 0% 100% 3
3 PL PROC 31118 0% 60% 3
4 HPCC 19446 0% 38% 3
5 ABORATORY ADV COMPUTING SIMULAT 17289 0% 100% 1
6 BRUYA LE CHATEL 17289 0% 100% 1
7 CEA SOLIDES IRRADIES CNRS URA 1380 17289 0% 100% 1
8 CEQUINOR QUIM INORGAN CIENCIAS EXACTAS 17289 0% 100% 1
9 CHIM PROVENCECASE MADIREL 17289 0% 100% 1
10 CNR NANOSTRUCT BIOSYSTS3 17289 0% 100% 1

Journals


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 PHYSICAL REVIEW B 24393 27% 0% 484
2 COMPUTER PHYSICS COMMUNICATIONS 21839 5% 1% 97
3 JOURNAL OF PHYSICS-CONDENSED MATTER 5381 6% 0% 99
4 SCIENTIFIC MODELING AND SIMULATIONS 3838 0% 11% 2
5 JOURNAL OF CHEMICAL PHYSICS 3329 7% 0% 132
6 JOURNAL OF COMPUTATIONAL PHYSICS 2795 2% 0% 43
7 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 2069 2% 0% 37
8 JOURNAL OF CHEMICAL THEORY AND COMPUTATION 1952 1% 1% 23
9 MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING 1647 1% 1% 14
10 COMPUTATIONAL MATERIALS SCIENCE 1601 1% 0% 26

Author Key Words


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class		 LCSH search Wikipedia search
1 KOHN SHAM EQUATION 173261 1% 48% 21 Search KOHN+SHAM+EQUATION Search KOHN+SHAM+EQUATION
2 KOHN SHAM DENSITY FUNCTIONAL THEORY 73759 0% 53% 8 Search KOHN+SHAM+DENSITY+FUNCTIONAL+THEORY Search KOHN+SHAM+DENSITY+FUNCTIONAL+THEORY
3 LINEAR SCALING ALGORITHMS 69156 0% 100% 4 Search LINEAR+SCALING+ALGORITHMS Search LINEAR+SCALING+ALGORITHMS
4 LINEAR SCALING 69124 1% 20% 20 Search LINEAR+SCALING Search LINEAR+SCALING
5 ORDER N METHOD 62235 0% 60% 6 Search ORDER+N+METHOD Search ORDER+N+METHOD
6 ONETEP 61743 0% 71% 5 Search ONETEP Search ONETEP
7 BOND ORDER POTENTIALS 60504 0% 50% 7 Search BOND+ORDER+POTENTIALS Search BOND+ORDER+POTENTIALS
8 C6B2 51867 0% 100% 3 Search C6B2 Search C6B2
9 LS3DF 51867 0% 100% 3 Search LS3DF Search LS3DF
10 REAL SPACE 51855 1% 33% 9 Search REAL+SPACE Search REAL+SPACE

Core articles
The table includes core articles in the class. The following variables is taken into account for the relevance score of an article in a cluster c:
(1) Number of references referring to publications in the class.
(2) Share of total number of active references referring to publications in the class.
(3) Age of the article. New articles get higher score than old articles.
(4) Citation rate, normalized to year.


Rank Reference # ref. in
cl.		 Shr. of ref. in
cl.		 Citations
1 BOWLER, DR , MIYAZAKI, T , (2012) O(N) METHODS IN ELECTRONIC STRUCTURE CALCULATIONS.REPORTS ON PROGRESS IN PHYSICS. VOL. 75. ISSUE 3. P. - 237 53% 139
2 GOEDECKER, S , (1999) LINEAR SCALING ELECTRONIC STRUCTURE METHODS.REVIEWS OF MODERN PHYSICS. VOL. 71. ISSUE 4. P. 1085 -1123 81 61% 814
3 MOTAMARRI, P , GAVINI, V , (2014) SUBQUADRATIC-SCALING SUBSPACE PROJECTION METHOD FOR LARGE-SCALE KOHN-SHAM DENSITY FUNCTIONAL THEORY CALCULATIONS USING SPECTRAL FINITE-ELEMENT DISCRETIZATION.PHYSICAL REVIEW B. VOL. 90. ISSUE 11. P. - 65 82% 4
4 PAYNE, MC , TETER, MP , ALLAN, DC , ARIAS, TA , JOANNOPOULOS, JD , (1992) ITERATIVE MINIMIZATION TECHNIQUES FOR ABINITIO TOTAL-ENERGY CALCULATIONS - MOLECULAR-DYNAMICS AND CONJUGATE GRADIENTS.REVIEWS OF MODERN PHYSICS. VOL. 64. ISSUE 4. P. 1045 -1097 34 58% 5639
5 TROULLIER, N , MARTINS, JL , (1991) EFFICIENT PSEUDOPOTENTIALS FOR PLANE-WAVE CALCULATIONS.PHYSICAL REVIEW B. VOL. 43. ISSUE 3. P. 1993 -2006 22 67% 10040
6 VANDERBILT, D , (1990) SOFT SELF-CONSISTENT PSEUDOPOTENTIALS IN A GENERALIZED EIGENVALUE FORMALISM.PHYSICAL REVIEW B. VOL. 41. ISSUE 11. P. 7892-7895 12 100% 13377
7 BOWLER, DR , MIYAZAKI, T , (2010) CALCULATIONS FOR MILLIONS OF ATOMS WITH DENSITY FUNCTIONAL THEORY: LINEAR SCALING SHOWS ITS POTENTIAL.JOURNAL OF PHYSICS-CONDENSED MATTER. VOL. 22. ISSUE 7. P. - 41 85% 50
8 FENG, G , BECK, TL , (2006) NONLINEAR MULTIGRID EIGENVALUE SOLVER UTILIZING NONORTHOGONAL LOCALIZED ORBITALS.PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS. VOL. 243. ISSUE 5. P. 1054 -1062 43 96% 7
9 GHOSH, S , SURYANARAYANA, P , (2017) SPARC: ACCURATE AND EFFICIENT FINITE-DIFFERENCE FORMULATION AND PARALLEL IMPLEMENTATION OF DENSITY FUNCTIONAL THEORY: ISOLATED CLUSTERS.COMPUTER PHYSICS COMMUNICATIONS. VOL. 212. ISSUE . P. 189 -204 48 63% 0
10 BANERJEE, AS , LIN, L , HU, W , YANG, C , PASK, JE , (2016) CHEBYSHEV POLYNOMIAL FILTERED SUBSPACE ITERATION IN THE DISCONTINUOUS GALERKIN METHOD FOR LARGE-SCALE ELECTRONIC STRUCTURE CALCULATIONS.JOURNAL OF CHEMICAL PHYSICS. VOL. 145. ISSUE 15. P. - 37 79% 0

Classes with closest relation at Level 1


Rank Class id link
1 17097 SELF CONSISTENT CLUSTER EMBEDDING CALCULATION//FREE CLUSTER CALCULATION//ORBITAL FREE DENSITY FUNCTIONAL THEORY
2 4566 ELECTRON REPULSION INTEGRALS//DENSITY FITTING//INCREMENTAL SCHEME
3 32367 ADV DEVICE TECHNLOL//BANDGAP CORRECTION//BREMEN COMP MATER SCI
4 29864 ATOMISTIC DESCRIPTION//LENS INFM//PALO ALTO 3333 COYOTE HILL RD
5 37635 ALPHA AL2O30001//ALPHA AL2O30001 SURFACE//COMP SOFTWARE SCI
6 7968 JULICH AACHEN ALLIANCE JARA HPC//CSR USEK//BADER CHARGES
7 19635 OSS2 POTENTIAL//GROTTHUS CHAIN MECHANISM//PROTON DISCHARGE
8 8856 GW APPROXIMATION//SOLIDES IRRADIES//L SIM SP2M
9 13965 FLUCTUATION ELECTRON MICROSCOPY//REDUCED DENSITY FUNCTION//MEDIUM RANGE ORDER
10 15672 NANOBIO SPECT GRP//LISE MEITNER MINERVA QUANTUM CHEM//ETSF SCI DEV

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