Recent Advances in Density Functional Methods - Recent Advances in Computational Chemistry
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Published By WORLD SCIENTIFIC

9789810248253, 9789812778161

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

CHEMICAL SHIFTS AND COUPLING SHIFTS OF THE STRETCH VIBRATIONS OF CO ON Cu(100)

Recent Advances in Density Functional Methods - Recent Advances in Computational Chemistry ◽

10.1142/9789812778161_0023 ◽

2002 ◽

pp. 360-370

Author(s):

R. L. C. WANG ◽

H. J. KREUZER

Keyword(s):

Chemical Shifts

THE DESCRIPTION OF THE PHOTOIONIZATION PROCESS BY THE B-SPLINE DENSITY FUNCTIONAL METHOD

Recent Advances in Density Functional Methods - Recent Advances in Computational Chemistry ◽

10.1142/9789812778161_0020 ◽

2002 ◽

pp. 305-324

Author(s):

M. STENER ◽

P. DECLEVA

Keyword(s):

Density Functional ◽

Density Functional Method ◽

Functional Method ◽

B Spline ◽

Photoionization Process

THEORETICAL STUDY OF THE TRANSITION-METAL SILONYL COMPLEXES M-SIO AND M-(SIO)2: M=CU, AG, OR AU

Recent Advances in Density Functional Methods - Recent Advances in Computational Chemistry ◽

10.1142/9789812778161_0001 ◽

2002 ◽

pp. 1-10

Author(s):

M. E. ALIKHANI ◽

D. MANDELBAUM

Keyword(s):

Transition Metal ◽

Theoretical Study

STUDIES OF THE NONADDITIVE KINETIC ENERGY FUNCTIONAL AND THE COUPLING BETWEEN ELECTRONIC AND GEOMETRICAL STRUCTURES

Recent Advances in Density Functional Methods - Recent Advances in Computational Chemistry ◽

10.1142/9789812778161_0017 ◽

2002 ◽

pp. 257-277 ◽

Cited By ~ 3

Author(s):

ROMAN F. NALEWAJSKI

Keyword(s):

Kinetic Energy ◽

Energy Functional ◽

Geometrical Structures ◽

Kinetic Energy Functional

FRONT MATTER

Recent Advances in Density Functional Methods - Recent Advances in Computational Chemistry ◽

10.1142/9789812778161_fmatter ◽

2002 ◽

pp. i-ix

Author(s):

Vincenzo Barone ◽

Alessandro Bencini ◽

Piercarlo Fantucci

LOCAL DENSITY APPROACH TO REAL-SPACE MULTIPLE-SCATTERING CALCULATIONS OF INNER-SHELL PHOTOABSORPTION CROSS SECTIONS FOR CLUSTERS

Recent Advances in Density Functional Methods - Recent Advances in Computational Chemistry ◽

10.1142/9789812778161_0010 ◽

2002 ◽

pp. 168-180

Author(s):

D. L. FOULIS ◽

R. F. PETTIFER ◽

V. L. JENNINGS

Keyword(s):

Multiple Scattering ◽

Cross Sections ◽

Local Density ◽

Real Space

CORRELATION ENERGY FOR ISOELECTRONIC SERIES OF ATOMS BY THE LINE INTEGRAL METHOD

Recent Advances in Density Functional Methods - Recent Advances in Computational Chemistry ◽

10.1142/9789812778161_0014 ◽

2002 ◽

pp. 224-233 ◽

Cited By ~ 1

Author(s):

V. V. KARASIEV ◽

E. V. LUDEÑA ◽

E. VALDERRAMA

Keyword(s):

Integral Method ◽

Correlation Energy ◽

Line Integral ◽

Isoelectronic Series

THEORETICAL EXPLORATION OF SINGLE AND MULTI STATE FEMTOSECOND NUCLEAR DYNAMICS OF SMALL METALLIC CLUSTERS USING THE DF METHOD

Recent Advances in Density Functional Methods - Recent Advances in Computational Chemistry ◽

10.1142/9789812778161_0003 ◽

2002 ◽

pp. 24-44

Author(s):

VLASTA BONAČIĆ-KOUTECKÝ ◽

MICHAEL HARTMANN ◽

DETLEF REICHARDT ◽

PIERCARLO FANTUCCI

Keyword(s):

Nuclear Dynamics ◽

Metallic Clusters

THEORY FOR A SINGLE EXCITED STATE DIFFERENTIAL VIRIAL THEOREM

Recent Advances in Density Functional Methods - Recent Advances in Computational Chemistry ◽

10.1142/9789812778161_0016 ◽

2002 ◽

pp. 247-256

Author(s):

Á. NAGY

Keyword(s):

Excited State ◽

Virial Theorem

CALCULATION OF VERTICAL IONIZATION POTENTIALS USING A DENSITY FUNCTIONAL TOTAL-ENERGY DIFFERENCE APPROACH

Recent Advances in Density Functional Methods - Recent Advances in Computational Chemistry ◽

10.1142/9789812778161_0006 ◽

2002 ◽

pp. 80-90

Author(s):

GERMÁN CAVIGLIASSO ◽

DELANO P. CHONG

Keyword(s):

Total Energy ◽

Density Functional ◽

Energy Difference ◽

Ionization Potentials ◽

Vertical Ionization Potentials ◽

Total Energy Difference

Recent Advances in Density Functional Methods - Recent Advances in Computational ChemistryLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By WORLD SCIENTIFIC

CHEMICAL SHIFTS AND COUPLING SHIFTS OF THE STRETCH VIBRATIONS OF CO ON Cu(100)

THE DESCRIPTION OF THE PHOTOIONIZATION PROCESS BY THE B-SPLINE DENSITY FUNCTIONAL METHOD

THEORETICAL STUDY OF THE TRANSITION-METAL SILONYL COMPLEXES M-SIO AND M-(SIO)2: M=CU, AG, OR AU

STUDIES OF THE NONADDITIVE KINETIC ENERGY FUNCTIONAL AND THE COUPLING BETWEEN ELECTRONIC AND GEOMETRICAL STRUCTURES

FRONT MATTER

LOCAL DENSITY APPROACH TO REAL-SPACE MULTIPLE-SCATTERING CALCULATIONS OF INNER-SHELL PHOTOABSORPTION CROSS SECTIONS FOR CLUSTERS

CORRELATION ENERGY FOR ISOELECTRONIC SERIES OF ATOMS BY THE LINE INTEGRAL METHOD

THEORETICAL EXPLORATION OF SINGLE AND MULTI STATE FEMTOSECOND NUCLEAR DYNAMICS OF SMALL METALLIC CLUSTERS USING THE DF METHOD

THEORY FOR A SINGLE EXCITED STATE DIFFERENTIAL VIRIAL THEOREM

CALCULATION OF VERTICAL IONIZATION POTENTIALS USING A DENSITY FUNCTIONAL TOTAL-ENERGY DIFFERENCE APPROACH

Recent Advances in Density Functional Methods - Recent Advances in Computational Chemistry
Latest Publications