A non local density functional calculation of the diamagnetic susceptibilities and other electronic properties of noble gases and closed-shell ions

L. C. Balb�s; J. A. Alonso; G. Borstel

doi:10.1007/bf01436667

A non local density functional calculation of the diamagnetic susceptibilities and other electronic properties of noble gases and closed-shell ions

Zeitschrift für Physik D ◽

10.1007/bf01436667 ◽

1987 ◽

Vol 6 (3) ◽

pp. 219-226 ◽

Cited By ~ 8

Author(s):

L. C. Balb�s ◽

J. A. Alonso ◽

G. Borstel

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Noble Gases ◽

Local Density ◽

Closed Shell ◽

Density Functional Calculation ◽

Non Local ◽

Local Density Functional

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Bonding and electronic properties of a multicomponent fullereneC12B24N24by a non-local-density-functional calculation

Physical Review Letters ◽

10.1103/physrevlett.70.3542 ◽

1993 ◽

Vol 70 (23) ◽

pp. 3542-3544 ◽

Cited By ~ 27

Author(s):

Kinya Kobayashi ◽

Noriyuki Kurita

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Local Density ◽

Density Functional Calculation ◽

Non Local ◽

Local Density Functional

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A theoretical study on the strength of multiple metal-metal bonds in binuclear complexes and transition-metal dimers by a non-local density functional method

Polyhedron ◽

10.1016/s0277-5387(00)86876-x ◽

1987 ◽

Vol 6 (4) ◽

pp. 685-693 ◽

Cited By ~ 40

Author(s):

Tom Ziegler ◽

Vincenzo Tschinke ◽

Axel Becke

Keyword(s):

Density Functional ◽

Theoretical Study ◽

Local Density ◽

Density Functional Method ◽

Functional Method ◽

Binuclear Complexes ◽

Metal Metal ◽

Non Local ◽

Local Density Functional ◽

Metal Bonds

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Theoretical study of the stability of X N n (n=?1, 0, +1, +2; X=Ag, Cu;N?25) clusters as a function of size using a non-local density functional formalism

Zeitschrift für Physik D ◽

10.1007/bf01426939 ◽

1989 ◽

Vol 12 (1-4) ◽

pp. 209-211 ◽

Cited By ~ 7

Author(s):

A. Rubio ◽

L. C. Balb�s ◽

A. Vega

Keyword(s):

Density Functional ◽

Theoretical Study ◽

Local Density ◽

Functional Formalism ◽

Non Local ◽

Local Density Functional ◽

The Stability

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Structure, Energetics, and Electronic Properties of the Surface of a Promoted MoS2 Catalyst: An ab Initio Local Density Functional Study

Journal of Catalysis ◽

10.1006/jcat.1999.2743 ◽

2000 ◽

Vol 190 (1) ◽

pp. 128-143 ◽

Cited By ~ 224

Author(s):

P. Raybaud ◽

J. Hafner ◽

G. Kresse ◽

S. Kasztelan ◽

H. Toulhoat

Keyword(s):

Ab Initio ◽

Electronic Properties ◽

Density Functional ◽

Local Density ◽

Functional Study ◽

Density Functional Study ◽

Local Density Functional ◽

Mos2 Catalyst

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Abinitio molecular dynamics based on nonlocal density functional procedure with Gaussian basis; study of structural and temperature behaviour of metallic clusters

Zeitschrift für Physik D ◽

10.1007/s004600050259 ◽

1997 ◽

Vol 40 (1-4) ◽

pp. 486-489 ◽

Cited By ~ 5

Author(s):

D. Reichardt ◽

V. Bona ) i ' -Koutecký ◽

P. Fantucci ◽

J. Jellinek

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Density Functional ◽

Local Density ◽

Ab Initio Molecular Dynamics ◽

Temperature Behaviour ◽

Metallic Clusters ◽

Non Local ◽

Local Density Functional

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Local-density-functional calculation of electrodynamic surface response

Physical Review B ◽

10.1103/physrevb.36.4422 ◽

1987 ◽

Vol 36 (8) ◽

pp. 4422-4424 ◽

Cited By ~ 26

Author(s):

Peter Gies ◽

Rolf R. Gerhardts

Keyword(s):

Density Functional ◽

Local Density ◽

Density Functional Calculation ◽

Surface Response ◽

Local Density Functional

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Local-density-functional calculation of photoelectron spectra of fullerenes

Physical Review B ◽

10.1103/physrevb.43.14281 ◽

1991 ◽

Vol 43 (17) ◽

pp. 14281-14284 ◽

Cited By ~ 55

Author(s):

J. W. Mintmire ◽

B. I. Dunlap ◽

D. W. Brenner ◽

R. C. Mowrey ◽

C. T. White

Keyword(s):

Density Functional ◽

Local Density ◽

Photoelectron Spectra ◽

Density Functional Calculation ◽

Local Density Functional

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Theoretical study of the stability of X n N (n= −1, 0, + 1, +2; X = Ag, Cu; N≤25) clusters as a function of size using a non-local density functional formalism

Small Particles and Inorganic Clusters ◽

10.1007/978-3-642-74913-1_47 ◽

1989 ◽

pp. 209-211

Author(s):

A. Rubio ◽

L. C. Balbás ◽

A. Vega

Keyword(s):

Density Functional ◽

Theoretical Study ◽

Local Density ◽

Functional Formalism ◽

Non Local ◽

Local Density Functional ◽

The Stability

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Local density functional calculation of the three-dimensional band structure of poly (phenylene vinylene) (PPV) and comparison with photoemission data

Synthetic Metals ◽

10.1016/0379-6779(93)90744-h ◽

1993 ◽

Vol 57 (2-3) ◽

pp. 4320-4325 ◽

Cited By ~ 7

Author(s):

P. Gomes da Costa ◽

R.G. Dandrea ◽

E.M. Conwell ◽

M. Fahlman ◽

M. Lögdlund ◽

...

Keyword(s):

Band Structure ◽

Density Functional ◽

Local Density ◽

Three Dimensional ◽

Phenylene Vinylene ◽

Density Functional Calculation ◽

Photoemission Data ◽

Local Density Functional

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Prediction of the Molecular Structure, Internal Rotational Barriers and Vibrational Frequencies of Formamide by Non-local Density Functional Theory

Journal of Chemical Research Synopses ◽

10.1039/a706017c ◽

1998 ◽

pp. 1-1 ◽

Cited By ~ 1

Author(s):

Frank U. Axe ◽

Venkatesan Renugopalakrishnan ◽

Arnold T. Hagler

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Density Functional ◽

Local Density ◽

Vibrational Frequencies ◽

Functional Theory ◽

Local Density Functional Theory ◽

Non Local ◽

Local Density Functional ◽

Internal Rotational Barriers

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A non local density functional calculation of the diamagnetic susceptibilities and other electronic properties of noble gases and closed-shell ions

Bonding and electronic properties of a multicomponent fullereneC12B24N24by a non-local-density-functional calculation

A theoretical study on the strength of multiple metal-metal bonds in binuclear complexes and transition-metal dimers by a non-local density functional method

Theoretical study of the stability of X N n (n=?1, 0, +1, +2; X=Ag, Cu;N?25) clusters as a function of size using a non-local density functional formalism

Structure, Energetics, and Electronic Properties of the Surface of a Promoted MoS2 Catalyst: An ab Initio Local Density Functional Study

Abinitio molecular dynamics based on nonlocal density functional procedure with Gaussian basis; study of structural and temperature behaviour of metallic clusters

Local-density-functional calculation of electrodynamic surface response

Local-density-functional calculation of photoelectron spectra of fullerenes

Theoretical study of the stability of X n N (n= −1, 0, + 1, +2; X = Ag, Cu; N≤25) clusters as a function of size using a non-local density functional formalism

Local density functional calculation of the three-dimensional band structure of poly (phenylene vinylene) (PPV) and comparison with photoemission data

Prediction of the Molecular Structure, Internal Rotational Barriers and Vibrational Frequencies of Formamide by Non-local Density Functional Theory

Abinitio molecular dynamics based on nonlocal density functional procedure with Gaussian basis; study of structural and temperature behaviour of metallic clusters