Class information for:
Level 2: QUANTUM THEORY GRP//PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
937 10988 39.6 63%


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
969 1                   QUANTUM THEORY GRP//OPTIMIZED EFFECTIVE POTENTIAL//INHOMOGENEOUS ELECTRON LIQUID 2930
4559 1                   KOHN SHAM EQUATION//KOHN SHAM DENSITY FUNCTIONAL THEORY//LINEAR SCALING ALGORITHMS 1766
8856 1                   GW APPROXIMATION//SOLIDES IRRADIES//L SIM SP2M 1211
9267 1                   CHIM THEOR PL//GRP CHIM PHYS THEOR STRUCT//JOURNAL OF CHEMICAL THEORY AND COMPUTATION 1172
10621 1                   QUANTUM MONTE CARLO//FIXED NODE DIFFUSION MONTE CARLO//TRANSCORRELATED METHOD 1048
11873 1                   ELECTRON PAIR DENSITY//PL CHEM UNIT//EXTRACULE DENSITY 948
15672 1                   NANOBIO SPECT GRP//LISE MEITNER MINERVA QUANTUM CHEM//ETSF SCI DEV 699
17097 1                   SELF CONSISTENT CLUSTER EMBEDDING CALCULATION//FREE CLUSTER CALCULATION//ORBITAL FREE DENSITY FUNCTIONAL THEORY 618
20516 1                   SLATER SUM//GENERAL RELATIVISTIC THOMAS FERMI TREATMENT//ICRANET 456
32367 1                   ADV DEVICE TECHNLOL//BANDGAP CORRECTION//BREMEN COMP MATER SCI 140

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 QUANTUM THEORY GRP address 205078 1% 54% 137
2 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL WoSSC 147802 46% 1% 5014
3 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY journal 100479 6% 6% 636
4 JOURNAL OF CHEMICAL PHYSICS journal 99146 16% 2% 1761
5 JOURNAL OF CHEMICAL THEORY AND COMPUTATION journal 77954 3% 8% 360
6 DENSITY FUNCTIONAL THEORY authKW 63563 6% 4% 630
7 TIME DEPENDENT DENSITY FUNCTIONAL THEORY authKW 53449 1% 19% 100
8 OPTIMIZED EFFECTIVE POTENTIAL authKW 53243 0% 91% 21
9 PHYSICAL REVIEW B journal 49943 16% 1% 1752
10 INHOMOGENEOUS ELECTRON LIQUID authKW 46337 0% 76% 22

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 147802 46% 1% 5014
2 Chemistry, Physical 44589 43% 0% 4707
3 Physics, Condensed Matter 20188 24% 0% 2614
4 Mathematics, Interdisciplinary Applications 7611 6% 0% 702
5 Optics 4422 10% 0% 1061
6 Physics, Multidisciplinary 4246 11% 0% 1162
7 Physics, Mathematical 1821 4% 0% 470
8 Computer Science, Interdisciplinary Applications 475 2% 0% 268
9 Chemistry, Multidisciplinary 26 4% 0% 492
10 Education, Scientific Disciplines 4 0% 0% 35

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 QUANTUM THEORY GRP 205078 1% 54% 137
2 NANOBIO SPECT GRP 44210 1% 24% 66
3 ETSF 27774 0% 19% 53
4 L SIM SP2M 24987 0% 75% 12
5 ETSF SCI DEV 23803 0% 22% 39
6 COMPUTAT MAT 22384 0% 16% 50
7 CHIM THEOR PL 21893 0% 18% 45
8 GRP CHIM PHYS THEOR STRUCT 20813 0% 50% 15
9 PL CHEM UNIT 20140 0% 48% 15
10 LISE MEITNER MINERVA QUANTUM CHEM 18507 0% 67% 10

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 100479 6% 6% 636
2 JOURNAL OF CHEMICAL PHYSICS 99146 16% 2% 1761
3 JOURNAL OF CHEMICAL THEORY AND COMPUTATION 77954 3% 8% 360
4 PHYSICAL REVIEW B 49943 16% 1% 1752
5 PHYSICAL REVIEW A 27791 8% 1% 829
6 THEORETICAL CHEMISTRY ACCOUNTS 14011 1% 4% 119
7 CHEMICAL PHYSICS LETTERS 10855 4% 1% 441
8 COMPUTER PHYSICS COMMUNICATIONS 9199 1% 2% 159
9 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 7873 2% 2% 183
10 MOLECULAR PHYSICS 7130 2% 2% 173

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 DENSITY FUNCTIONAL THEORY 63563 6% 4% 630 Search DENSITY+FUNCTIONAL+THEORY Search DENSITY+FUNCTIONAL+THEORY
2 TIME DEPENDENT DENSITY FUNCTIONAL THEORY 53449 1% 19% 100 Search TIME+DEPENDENT+DENSITY+FUNCTIONAL+THEORY Search TIME+DEPENDENT+DENSITY+FUNCTIONAL+THEORY
3 OPTIMIZED EFFECTIVE POTENTIAL 53243 0% 91% 21 Search OPTIMIZED+EFFECTIVE+POTENTIAL Search OPTIMIZED+EFFECTIVE+POTENTIAL
4 INHOMOGENEOUS ELECTRON LIQUID 46337 0% 76% 22 Search INHOMOGENEOUS+ELECTRON+LIQUID Search INHOMOGENEOUS+ELECTRON+LIQUID
5 QUANTUM MONTE CARLO 45771 1% 26% 64 Search QUANTUM+MONTE+CARLO Search QUANTUM+MONTE+CARLO
6 SELF CONSISTENT CLUSTER EMBEDDING CALCULATION 38878 0% 100% 14 Search SELF+CONSISTENT+CLUSTER+EMBEDDING+CALCULATION Search SELF+CONSISTENT+CLUSTER+EMBEDDING+CALCULATION
7 KINETIC ENERGY FUNCTIONAL 34708 0% 83% 15 Search KINETIC+ENERGY+FUNCTIONAL Search KINETIC+ENERGY+FUNCTIONAL
8 ELECTRON PAIR DENSITY 33430 0% 71% 17 Search ELECTRON+PAIR+DENSITY Search ELECTRON+PAIR+DENSITY
9 LOCAL SCALING TRANSFORMATIONS 33324 0% 100% 12 Search LOCAL+SCALING+TRANSFORMATIONS Search LOCAL+SCALING+TRANSFORMATIONS
10 CORRELATION ENERGY 32857 0% 30% 40 Search CORRELATION+ENERGY Search CORRELATION+ENERGY

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 KUMMEL, S , KRONIK, L , (2008) ORBITAL-DEPENDENT DENSITY FUNCTIONALS: THEORY AND APPLICATIONS.REVIEWS OF MODERN PHYSICS. VOL. 80. ISSUE 1. P. 3 -60 306 67% 538
2 BOWLER, DR , MIYAZAKI, T , (2012) O(N) METHODS IN ELECTRONIC STRUCTURE CALCULATIONS.REPORTS ON PROGRESS IN PHYSICS. VOL. 75. ISSUE 3. P. - 266 59% 139
3 JACQUEMIN, D , LAURENT, AD , (2013) TD-DFT BENCHMARKS: A REVIEW.INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. VOL. 113. ISSUE 17. P. 2019 -2039 179 62% 153
4 COHEN, AJ , MORI-SANCHEZ, P , YANG, WT , (2012) CHALLENGES FOR DENSITY FUNCTIONAL THEORY.CHEMICAL REVIEWS. VOL. 112. ISSUE 1. P. 289 -320 142 55% 547
5 DELLA SALA, F , FABIANO, E , CONSTANTIN, LA , (2016) KINETIC-ENERGY-DENSITY DEPENDENT SEMILOCAL EXCHANGE-CORRELATION FUNCTIONALS.INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. VOL. 116. ISSUE 22. P. 1641 -1694 224 61% 3
6 AUSTIN, BM , ZUBAREV, DY , LESTER, WA , (2012) QUANTUM MONTE CARLO AND RELATED APPROACHES.CHEMICAL REVIEWS. VOL. 112. ISSUE 1. P. 263 -288 175 71% 73
7 JACOB, CR , NEUGEBAUER, J , (2014) SUBSYSTEM DENSITY-FUNCTIONAL THEORY.WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE. VOL. 4. ISSUE 4. P. 325 -362 145 75% 49
8 KRONIK, L , STEIN, T , REFAELY-ABRAMSON, S , BAER, R , (2012) EXCITATION GAPS OF FINITE-SIZED SYSTEMS FROM OPTIMALLY TUNED RANGE-SEPARATED HYBRID FUNCTIONALS.JOURNAL OF CHEMICAL THEORY AND COMPUTATION. VOL. 8. ISSUE 5. P. 1515 -1531 112 78% 186
9 ONIDA, G , REINING, L , RUBIO, A , (2002) ELECTRONIC EXCITATIONS: DENSITY-FUNCTIONAL VERSUS MANY-BODY GREEN'S-FUNCTION APPROACHES.REVIEWS OF MODERN PHYSICS. VOL. 74. ISSUE 2. P. 601 -659 132 55% 1627
10 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 153 63% 21

Classes with closest relation at Level 2


Rank Class id link
1 1332 SLATER TYPE ORBITALS//INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY//PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
2 1535 HALOGEN BONDING//NONCOVALENT INTERACTIONS//SIGMA HOLE
3 3804 ELECTRON WORK FUNCTION//REGIONAL DENSITY FUNCTIONAL THEORY//THEORY OF CHEMICAL BOND
4 384 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//JOURNAL OF COMPUTATIONAL CHEMISTRY//CHEMISTRY, PHYSICAL
5 2022 COLD FUSION//WARM DENSE MATTER//COULOMB SYSTEMS
6 3526 AFLOW//POWDER INDEXING//COMPUTAT DESIGN DISCOVERY NOVEL MAT
7 169 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//CHEMISTRY, PHYSICAL//JOURNAL OF PHYSICAL CHEMISTRY A
8 2689 JOURNAL OF CHEMICAL PHYSICS//KENNETH S PITZER THEORET CHEM//KS PITZER THEORET CHEM
9 1730 MOLECULAR ELECTRONICS//MOLECULAR JUNCTIONS//NON EQUILIBRIUM GREENS FUNCTION
10 2017 MAGNESIUM OXIDE//SURFACE SCIENCE//DIPARTIMENTO SCI MAT

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