Class information for:
Level 1: GAUSSIAN BASIS SETS//GENERATOR COORDINATE HARTREE FOCK METHOD//INFORMAT SAO CARLOS

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
19450 505 30.5 41%


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
1332 2             SLATER TYPE ORBITALS//INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY//PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 8380
19450 1                   GAUSSIAN BASIS SETS//GENERATOR COORDINATE HARTREE FOCK METHOD//INFORMAT SAO CARLOS 505

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 GAUSSIAN BASIS SETS authKW 813909 7% 38% 35
2 GENERATOR COORDINATE HARTREE FOCK METHOD authKW 665115 2% 100% 11
3 INFORMAT SAO CARLOS address 457260 2% 69% 11
4 IMPROVED GENERATOR COORDINATE HARTREE FOCK METHOD authKW 362790 1% 100% 6
5 DISTRIBUTED GAUSSIAN BASIS SETS authKW 310961 1% 86% 6
6 CONTRACTED BASIS SETS authKW 302325 1% 100% 5
7 HEITLER LONDON authKW 272089 1% 75% 6
8 TOTAL ENERGIES authKW 227900 1% 54% 7
9 ADAPTED GAUSSIAN BASIS SETS authKW 181395 1% 100% 3
10 ENERGETIC EIGENVALUES authKW 181395 1% 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, Atomic, Molecular & Chemical 9487 54% 0% 271
2 Chemistry, Physical 4737 63% 0% 319
3 Mathematics, Interdisciplinary Applications 2136 15% 0% 76
4 Optics 226 10% 0% 51
5 Computer Science, Interdisciplinary Applications 130 5% 0% 25
6 Physics, Mathematical 130 5% 0% 26
7 Chemistry, Multidisciplinary 84 11% 0% 57
8 Spectroscopy 15 2% 0% 11
9 Computer Science, Theory & Methods 15 2% 0% 11
10 Physics, Multidisciplinary 7 4% 0% 18

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 INFORMAT SAO CARLOS 457260 2% 69% 11
2 METECC 181395 1% 100% 3
3 SECCAO SUPORTE 181395 1% 100% 3
4 SECCAO TECN SUPORTE 181395 1% 100% 3
5 SECAO SUPORTE 167954 1% 56% 5
6 CIENCIAS EXATAS NAT QUIM 120930 0% 100% 2
7 CIENCIAS EXATAS NAT QUIM FUNDAMENTAL 120930 0% 100% 2
8 FIS QUIM SAO CARLOS QUIM FIS MOLEC 120930 0% 100% 2
9 MOL DYNAM BIOMOL SIMULAT GRP 108835 1% 60% 3
10 QUIM SAO CARLOS QUIM FIS MOL 107489 1% 44% 4

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 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 28229 14% 1% 72
2 THEORETICA CHIMICA ACTA 15734 4% 1% 19
3 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 12231 10% 0% 48
4 COMPUTER PHYSICS REPORTS 10176 1% 4% 4
5 ADVANCES IN QUANTUM CHEMISTRY 5609 2% 1% 8
6 MOLECULAR PHYSICS 3620 5% 0% 26
7 JOURNAL OF COMPUTATIONAL CHEMISTRY 3177 4% 0% 18
8 JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 2900 6% 0% 28
9 CHEMICAL PHYSICS LETTERS 2339 9% 0% 43
10 JOURNAL OF CHEMICAL PHYSICS 1772 10% 0% 51

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 GAUSSIAN BASIS SETS 813909 7% 38% 35 Search GAUSSIAN+BASIS+SETS Search GAUSSIAN+BASIS+SETS
2 GENERATOR COORDINATE HARTREE FOCK METHOD 665115 2% 100% 11 Search GENERATOR+COORDINATE+HARTREE+FOCK+METHOD Search GENERATOR+COORDINATE+HARTREE+FOCK+METHOD
3 IMPROVED GENERATOR COORDINATE HARTREE FOCK METHOD 362790 1% 100% 6 Search IMPROVED+GENERATOR+COORDINATE+HARTREE+FOCK+METHOD Search IMPROVED+GENERATOR+COORDINATE+HARTREE+FOCK+METHOD
4 DISTRIBUTED GAUSSIAN BASIS SETS 310961 1% 86% 6 Search DISTRIBUTED+GAUSSIAN+BASIS+SETS Search DISTRIBUTED+GAUSSIAN+BASIS+SETS
5 CONTRACTED BASIS SETS 302325 1% 100% 5 Search CONTRACTED+BASIS+SETS Search CONTRACTED+BASIS+SETS
6 HEITLER LONDON 272089 1% 75% 6 Search HEITLER+LONDON Search HEITLER+LONDON
7 TOTAL ENERGIES 227900 1% 54% 7 Search TOTAL+ENERGIES Search TOTAL+ENERGIES
8 ADAPTED GAUSSIAN BASIS SETS 181395 1% 100% 3 Search ADAPTED+GAUSSIAN+BASIS+SETS Search ADAPTED+GAUSSIAN+BASIS+SETS
9 ENERGETIC EIGENVALUES 181395 1% 100% 3 Search ENERGETIC+EIGENVALUES Search ENERGETIC+EIGENVALUES
10 IMPROVED GENERATOR COORDINATE HARTREE FOCK 181395 1% 100% 3 Search IMPROVED+GENERATOR+COORDINATE+HARTREE+FOCK Search IMPROVED+GENERATOR+COORDINATE+HARTREE+FOCK

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 MONCRIEFF, D , WILSON, S , (1998) A UNIVERSAL BASIS SET FOR HIGH-PRECISION MOLECULAR ELECTRONIC STRUCTURE STUDIES: CORRELATION EFFECTS IN THE GROUND STATES OF N-2, CO, BF AND NO+.JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS. VOL. 31. ISSUE 17. P. 3819 -3841 55 57% 13
2 ANGELOTTI, WFD , HAIDUKE, RLA , TRSIC, M , (2012) THE GENERATOR COORDINATE METHOD IN THE UNRESTRICTED HARTREE-FOCK FORMALISM.INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. VOL. 112. ISSUE 4. P. 941 -947 25 74% 0
3 WILSON, S , MONCRIEFF, D , (2001) ON 'INFINITE BASIS SET LIMITS' IN MOLECULAR ELECTRONIC STRUCTURE CALCULATIONS.COMPUTERS & CHEMISTRY. VOL. 25. ISSUE 1. P. 109 -115 38 64% 4
4 TREU, O , PINHEIRO, JC , KONDO, RT , (2005) THE GENERATOR COORDINATE HARTREE-FOCK METHOD AS STRATEGY FOR BUILDING GAUSSIAN BASIS SETS TO AB INITIO STUDY OF THE PROCESS OF ADSORPTION OF SULFUR ON PLATINUM (200) SURFACE.JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. VOL. 716. ISSUE 1-3. P. 89 -92 22 85% 2
5 KRYACHKO, ES , WILSON, S , (2003) GENERATION OF SYSTEMATIC SEQUENCES OF EVEN-TEMPERED BASIS SETS: EMPIRICAL GENERATING FORMULAE.INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. VOL. 93. ISSUE 2. P. 112 -120 22 88% 9
6 KOBUS, J , (2013) A FINITE DIFFERENCE HARTREE-FOCK PROGRAM FOR ATOMS AND DIATOMIC MOLECULES.COMPUTER PHYSICS COMMUNICATIONS. VOL. 184. ISSUE 3. P. 799 -811 34 41% 9
7 GLUSHKOV, VN , KOBUS, J , WILSON, S , (2008) DISTRIBUTED GAUSSIAN BASIS SETS: A COMPARISON WITH FINITE DIFFERENCE HARTREE-FOCK CALCULATIONS FOR POTENTIAL ENERGY CURVES OF H-2, LIH AND BH.JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS. VOL. 41. ISSUE 20. P. - 24 65% 1
8 WILSON, S , MONCRIEFF, D , (1997) DISTRIBUTED GAUSSIAN BASIS SETS: SOME RECENT RESULTS AND PROSPECTS.ADVANCES IN QUANTUM CHEMISTRY, VOL. 28. VOL. 28. ISSUE . P. 47 -63 33 65% 3
9 DE OLIVEIRA, PJP , JORGE, FE , (2007) HIGHLY ACCURATE GAUSSIAN BASIS SETS FOR LOW-LYING EXCITED STATES OF SOME POSITIVE AND NEGATIVE IONS.INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY. VOL. 46. ISSUE 9. P. 1383 -1387 15 100% 0
10 CELESTE, R , MARINGOLO, MP , COMAR, M , VIANA, RB , GUIMARAES, AR , HAIDUKE, RLA , DA SILVA, ABF , (2015) ACCURATE GAUSSIAN BASIS SETS FOR ATOMIC AND MOLECULAR CALCULATIONS OBTAINED FROM THE GENERATOR COORDINATE METHOD WITH POLYNOMIAL DISCRETIZATION.JOURNAL OF MOLECULAR MODELING. VOL. 21. ISSUE 10. P. - 14 88% 0

Classes with closest relation at Level 1


Rank Class id link
1 11873 ELECTRON PAIR DENSITY//PL CHEM UNIT//EXTRACULE DENSITY
2 4216 RELATIVISTIC BASIS SETS//CORRELATING FUNCTIONS//RELATIVISTIC EFFECTS
3 13763 SLATER TYPE ORBITALS//OVERLAP INTEGRALS//MOLECULAR INTEGRALS
4 9546 CHEMICAL HAMILTONIAN APPROACH//SYMMETRY ADAPTED PERTURBATION THEORY//BASIS SET SUPERPOSITION ERROR
5 4950 HALL ATWATER S CHEM//BASIS SET EXTRAPOLATION//CORRELATION CONSISTENT BASIS SETS
6 24314 LOWDINS PAIRING THEOREM//3D 3D EXCITED STATES//FLOATING SPHERICAL GAUSSIAN ORBITAL
7 21035 ALKALINE EARTH DIMERS//LOCALIZATION TENSOR//TOTAL POSITION SPREAD
8 31342 UNIT ADV OLARSHIP//RADIUS OF REVOLUTION//GENERAL COVALENCE
9 18390 SOLID STATE O 17 NMR//CHEMICAL SHIELDING TENSOR//ELECTRIC FIELD GRADIENT TENSOR
10 22314 MOLECULAR SPECTROSCOPIC CONSTANTS//ALBR//BBR RADICAL

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