Class information for:
Level 1: SELF CONSISTENT CLUSTER EMBEDDING CALCULATION//FREE CLUSTER CALCULATION//ORBITAL FREE DENSITY FUNCTIONAL THEORY

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
17097 618 45.0 56%


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
17097 1                   SELF CONSISTENT CLUSTER EMBEDDING CALCULATION//FREE CLUSTER CALCULATION//ORBITAL FREE DENSITY FUNCTIONAL THEORY 618

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 SELF CONSISTENT CLUSTER EMBEDDING CALCULATION authKW 691722 2% 100% 14
2 FREE CLUSTER CALCULATION authKW 345861 1% 100% 7
3 ORBITAL FREE DENSITY FUNCTIONAL THEORY authKW 210628 1% 47% 9
4 FROZEN DENSITY EMBEDDING authKW 205868 1% 83% 5
5 THEORET ORGAN CHEM address 197627 1% 50% 8
6 CHIM PHYS 30 address 158106 1% 80% 4
7 KINETIC ENERGY DENSITY FUNCTIONALS authKW 158106 1% 80% 4
8 ANDLINGER ENERGY ENVIRONM address 152809 4% 13% 23
9 MULTI LEVEL SIMULATIONS authKW 148226 0% 100% 3
10 KINETIC ENERGY FUNCTIONAL authKW 134493 1% 39% 7

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 11137 53% 0% 325
2 Chemistry, Physical 3813 52% 0% 321
3 Mathematics, Interdisciplinary Applications 489 7% 0% 42
4 Physics, Condensed Matter 448 16% 0% 98
5 Physics, Multidisciplinary 155 9% 0% 55
6 Physics, Mathematical 150 5% 0% 31
7 Optics 131 7% 0% 46
8 Computer Science, Interdisciplinary Applications 32 3% 0% 16
9 Chemistry, Multidisciplinary 24 7% 0% 45
10 Education, Scientific Disciplines 5 1% 0% 4

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 THEORET ORGAN CHEM 197627 1% 50% 8
2 CHIM PHYS 30 158106 1% 80% 4
3 ANDLINGER ENERGY ENVIRONM 152809 4% 13% 23
4 FAK CHEM BIOWISSEN 98817 0% 100% 2
5 PROGRAM PL COMPUTAT MATH 98469 7% 5% 43
6 MULTISCALE THEORY COMPUTAT 88921 1% 20% 9
7 MULTISCALE THEORY SIMULAT 65877 0% 67% 2
8 ASA CONSULTING LTD 49409 0% 100% 1
9 CATALYSIS SUR E CHEM UL NIEZ OMINAJEK 49409 0% 100% 1
10 CIENCIAS C14CSIC 49409 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 JOURNAL OF CHEMICAL PHYSICS 9687 21% 0% 130
2 JOURNAL OF CHEMICAL THEORY AND COMPUTATION 9019 5% 1% 29
3 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 6382 6% 0% 38
4 PHYSICAL REVIEW A 1199 7% 0% 41
5 PHYSICAL REVIEW B 829 9% 0% 55
6 PHYSICAL CHEMISTRY CHEMICAL PHYSICS 703 3% 0% 20
7 CHEMICAL PHYSICS LETTERS 673 4% 0% 26
8 THEORETICAL CHEMISTRY ACCOUNTS 632 1% 0% 6
9 MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING 600 1% 0% 5
10 THEORETICA CHIMICA ACTA 563 1% 0% 4

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 SELF CONSISTENT CLUSTER EMBEDDING CALCULATION 691722 2% 100% 14 Search SELF+CONSISTENT+CLUSTER+EMBEDDING+CALCULATION Search SELF+CONSISTENT+CLUSTER+EMBEDDING+CALCULATION
2 FREE CLUSTER CALCULATION 345861 1% 100% 7 Search FREE+CLUSTER+CALCULATION Search FREE+CLUSTER+CALCULATION
3 ORBITAL FREE DENSITY FUNCTIONAL THEORY 210628 1% 47% 9 Search ORBITAL+FREE+DENSITY+FUNCTIONAL+THEORY Search ORBITAL+FREE+DENSITY+FUNCTIONAL+THEORY
4 FROZEN DENSITY EMBEDDING 205868 1% 83% 5 Search FROZEN+DENSITY+EMBEDDING Search FROZEN+DENSITY+EMBEDDING
5 KINETIC ENERGY DENSITY FUNCTIONALS 158106 1% 80% 4 Search KINETIC+ENERGY+DENSITY+FUNCTIONALS Search KINETIC+ENERGY+DENSITY+FUNCTIONALS
6 MULTI LEVEL SIMULATIONS 148226 0% 100% 3 Search MULTI+LEVEL+SIMULATIONS Search MULTI+LEVEL+SIMULATIONS
7 KINETIC ENERGY FUNCTIONAL 134493 1% 39% 7 Search KINETIC+ENERGY+FUNCTIONAL Search KINETIC+ENERGY+FUNCTIONAL
8 ORBITAL FREE EMBEDDING 111168 0% 75% 3 Search ORBITAL+FREE+EMBEDDING Search ORBITAL+FREE+EMBEDDING
9 ATOMIC REACTIVITY 98817 0% 100% 2 Search ATOMIC+REACTIVITY Search ATOMIC+REACTIVITY
10 EQUIVALENT POTENTIAL 98817 0% 100% 2 Search EQUIVALENT+POTENTIAL Search EQUIVALENT+POTENTIAL

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 JACOB, CR , NEUGEBAUER, J , (2014) SUBSYSTEM DENSITY-FUNCTIONAL THEORY.WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE. VOL. 4. ISSUE 4. P. 325 -362 113 58% 49
2 WESOLOWSKI, TA , SHEDGE, S , ZHOU, XW , (2015) FROZEN-DENSITY EMBEDDING STRATEGY FOR MULTILEVEL SIMULATIONS OF ELECTRONIC STRUCTURE.CHEMICAL REVIEWS. VOL. 115. ISSUE 12. P. 5891 -5928 126 52% 21
3 KRISHTAL, A , SINHA, D , GENOVA, A , PAVANELLO, M , (2015) SUBSYSTEM DENSITY-FUNCTIONAL THEORY AS AN EFFECTIVE TOOL FOR MODELING GROUND AND EXCITED STATES, THEIR DYNAMICS AND MANY-BODY INTERACTIONS.JOURNAL OF PHYSICS-CONDENSED MATTER. VOL. 27. ISSUE 18. P. - 88 49% 4
4 LARICCHIA, S , CONSTANTIN, LA , FABIANO, E , DELLA SALA, F , (2014) LAPLACIAN-LEVEL KINETIC ENERGY APPROXIMATIONS BASED ON THE FOURTH-ORDER GRADIENT EXPANSION: GLOBAL ASSESSMENT AND APPLICATION TO THE SUBSYSTEM FORMULATION OF DENSITY FUNCTIONAL THEORY.JOURNAL OF CHEMICAL THEORY AND COMPUTATION. VOL. 10. ISSUE 1. P. 164 -179 60 64% 14
5 XIA, JC , CARTER, EA , (2015) SINGLE-POINT KINETIC ENERGY DENSITY FUNCTIONALS: A POINTWISE KINETIC ENERGY DENSITY ANALYSIS AND NUMERICAL CONVERGENCE INVESTIGATION.PHYSICAL REVIEW B. VOL. 91. ISSUE 4. P. - 49 74% 5
6 DRESSELHAUS, T , NEUGEBAUER, J , (2015) PART AND WHOLE IN WAVEFUNCTION/DFT EMBEDDING.THEORETICAL CHEMISTRY ACCOUNTS. VOL. 134. ISSUE 8. P. - 47 72% 3
7 LARICCHIA, S , FABIANO, E , CONSTANTIN, LA , DELLA SALA, F , (2011) GENERALIZED GRADIENT APPROXIMATIONS OF THE NONINTERACTING KINETIC ENERGY FROM THE SEMICLASSICAL ATOM THEORY: RATIONALIZATION OF THE ACCURACY OF THE FROZEN DENSITY EMBEDDING THEORY FOR NONBONDED INTERACTIONS.JOURNAL OF CHEMICAL THEORY AND COMPUTATION. VOL. 7. ISSUE 8. P. 2439 -2451 55 64% 21
8 LARICCHIA, S , FABIANO, E , DELLA SALA, F , (2012) ON THE ACCURACY OF FROZEN DENSITY EMBEDDING CALCULATIONS WITH HYBRID AND ORBITAL-DEPENDENT FUNCTIONALS FOR NON-BONDED INTERACTION ENERGIES.JOURNAL OF CHEMICAL PHYSICS. VOL. 137. ISSUE 1. P. - 61 50% 9
9 FUX, S , JACOB, CR , NEUGEBAUER, J , VISSCHER, L , REIHER, M , (2010) ACCURATE FROZEN-DENSITY EMBEDDING POTENTIALS AS A FIRST STEP TOWARDS A SUBSYSTEM DESCRIPTION OF COVALENT BONDS.JOURNAL OF CHEMICAL PHYSICS. VOL. 132. ISSUE 16. P. - 46 61% 59
10 DE SILVA, P , WESOLOWSKI, TA , (2012) EXACT NON-ADDITIVE KINETIC POTENTIALS IN REALISTIC CHEMICAL SYSTEMS.JOURNAL OF CHEMICAL PHYSICS. VOL. 137. ISSUE 9. P. - 35 76% 13

Classes with closest relation at Level 1


Rank Class id link
1 20516 SLATER SUM//GENERAL RELATIVISTIC THOMAS FERMI TREATMENT//ICRANET
2 969 QUANTUM THEORY GRP//OPTIMIZED EFFECTIVE POTENTIAL//INHOMOGENEOUS ELECTRON LIQUID
3 4559 KOHN SHAM EQUATION//KOHN SHAM DENSITY FUNCTIONAL THEORY//LINEAR SCALING ALGORITHMS
4 11873 ELECTRON PAIR DENSITY//PL CHEM UNIT//EXTRACULE DENSITY
5 15253 LINK ATOM//QM MM//EXTREMELY LOCALIZED MOLECULAR ORBITALS
6 15672 NANOBIO SPECT GRP//LISE MEITNER MINERVA QUANTUM CHEM//ETSF SCI DEV
7 14253 ELONGATION METHOD//FRAGMENT MOLECULAR ORBITAL METHOD//THEORET COMPUTAT SCI
8 3482 FUKUI FUNCTION//CONCEPTUAL DFT//EENHEID ALGEMENE CHEM
9 13336 GROSS PITAEVSKII HIERARCHY//MEAN FIELD LIMIT//UMR 8088
10 13728 FISHER INFORMATION//EUITIZ//CARLOS I FIS TEOR COMPUTAC

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