Density Functional Methods in Chemistry
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30

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Published By Springer New York

9781461278092, 9781461231363

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DMol Methodology and Applications

Density Functional Methods in Chemistry ◽

10.1007/978-1-4612-3136-3_7 ◽

1991 ◽

pp. 101-107 ◽

Cited By ~ 12

Author(s):

B. Delley

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Benchmark and Testing of the Local Density Functional Method for Molecular Systems

Density Functional Methods in Chemistry ◽

10.1007/978-1-4612-3136-3_3 ◽

1991 ◽

pp. 33-48 ◽

Cited By ~ 15

Author(s):

David A. Dixon ◽

Jan Andzelm ◽

George Fitzgerald ◽

Erich Wimmer ◽

Paul Jasien

Keyword(s):

Density Functional ◽

Local Density ◽

Density Functional Method ◽

Functional Method ◽

Molecular Systems ◽

Local Density Functional

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An Algorithm in Direct Space for the Local Electronic Structure of Ferromagnetic Phases: Co(bcc) and Ni(fcc)

Density Functional Methods in Chemistry ◽

10.1007/978-1-4612-3136-3_18 ◽

1991 ◽

pp. 285-291

Author(s):

Miguel Castro ◽

Fernando Estrada ◽

Vicente Soria

Keyword(s):

Electronic Structure ◽

Local Electronic Structure

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Accurate Intramolecular Forces Within Gaussian Orbital Local-Density Framework: Progress Towards Real Dynamics

Density Functional Methods in Chemistry ◽

10.1007/978-1-4612-3136-3_15 ◽

1991 ◽

pp. 231-245 ◽

Cited By ~ 1

Author(s):

Mark R. Pederson ◽

Koblar A. Jackson

Keyword(s):

Local Density ◽

Intramolecular Forces ◽

Gaussian Orbital

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A Simplified Self-Interaction Correction Method for Covalently Bonded Solids: Application to trans-Polyacetylene

Density Functional Methods in Chemistry ◽

10.1007/978-1-4612-3136-3_13 ◽

1991 ◽

pp. 195-211

Author(s):

Joseph G. Harrison

Keyword(s):

Correction Method ◽

Covalently Bonded

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Nonlocal Correlation Energy Functionals and Coupling Constant Integration

Density Functional Methods in Chemistry ◽

10.1007/978-1-4612-3136-3_12 ◽

1991 ◽

pp. 175-193 ◽

Cited By ~ 4

Author(s):

Mel Levy

Keyword(s):

Correlation Energy ◽

Coupling Constant ◽

Energy Functionals ◽

Nonlocal Correlation

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Introduction

Density Functional Methods in Chemistry ◽

10.1007/978-1-4612-3136-3_1 ◽

1991 ◽

pp. 1-6

Author(s):

Brett I. Dunlap

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Improved Variational Calculations with Atomic Energy Functional Using an Additional Restriction on the Density

Density Functional Methods in Chemistry ◽

10.1007/978-1-4612-3136-3_22 ◽

1991 ◽

pp. 337-356

Author(s):

M. Daniel Glossman ◽

Eduardo A. Castro

Keyword(s):

Energy Functional ◽

Atomic Energy ◽

Additional Restriction ◽

Variational Calculations

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Gaussian-based Density Functional Methodology, Software, and Applications

Density Functional Methods in Chemistry ◽

10.1007/978-1-4612-3136-3_6 ◽

1991 ◽

pp. 77-100 ◽

Cited By ~ 51

Author(s):

Dennis R. Salahub ◽

René Fournier ◽

Piotr Młynarski ◽

Imre Papai ◽

Alain St-Amant ◽

...

Keyword(s):

Density Functional

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Participants of the Ohio Supercomputer Center Workshop on Theory and Applications of Density Functional Approaches to Chemistry

Density Functional Methods in Chemistry ◽

10.1007/978-1-4612-3136-3_30 ◽

1991 ◽

pp. 437-443 ◽

Cited By ~ 1

Author(s):

Jan K. Labanowski ◽

Jan W. Andzelm

Keyword(s):

Density Functional

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