The DV-Xα Molecular-Orbital Calculation Method
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Published By Springer International Publishing

9783319111841, 9783319111858

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Total Energy Calculation by DV-Xα Method and Its Accuracy

The DV-Xα Molecular-Orbital Calculation Method ◽

10.1007/978-3-319-11185-8_6 ◽

2014 ◽

pp. 141-181

Author(s):

Katsumi Nakagawa

Keyword(s):

Total Energy ◽

Energy Calculation ◽

Total Energy Calculation

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Atom-Atom Interaction Potential from the Gaussian Quadrature Method and Classical Molecular Dynamics

The DV-Xα Molecular-Orbital Calculation Method ◽

10.1007/978-3-319-11185-8_4 ◽

2014 ◽

pp. 107-133

Author(s):

Kimichika Fukushima

Keyword(s):

Molecular Dynamics ◽

Interaction Potential ◽

Gaussian Quadrature ◽

Quadrature Method ◽

Classical Molecular Dynamics ◽

Atom Interaction

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Wavelength of Luminescence and Energy Level Structure of Binuclear Copper(I) Complex

The DV-Xα Molecular-Orbital Calculation Method ◽

10.1007/978-3-319-11185-8_14 ◽

2014 ◽

pp. 333-357

Author(s):

Tomohiko Ishii ◽

Masahiro Kenmotsu ◽

Kiyoshi Tsuge ◽

Genta Sakane ◽

Yoichi Sasaki ◽

...

Keyword(s):

Energy Level ◽

Level Structure ◽

Binuclear Copper ◽

Energy Level Structure

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Chemical Bonding, Point Defects and Positron Lifetimes in FeSi2 from First-Principles Calculations

The DV-Xα Molecular-Orbital Calculation Method ◽

10.1007/978-3-319-11185-8_12 ◽

2014 ◽

pp. 303-323

Author(s):

Masataka Mizuno ◽

Hideki Araki

Keyword(s):

Point Defects ◽

Chemical Bonding ◽

First Principles ◽

First Principles Calculations ◽

Positron Lifetimes

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The DV-Xα Molecular Orbital Calculation Method and Recent Development

The DV-Xα Molecular-Orbital Calculation Method ◽

10.1007/978-3-319-11185-8_1 ◽

2014 ◽

pp. 3-23

Author(s):

Yoshiyuki Kowada ◽

Kazuyoshi Ogasawara

Keyword(s):

Molecular Orbital ◽

Calculation Method ◽

Molecular Orbital Calculation

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Analytical Expression of Molecular Integrals over Slater-Type Functions for Generating Their Polynomial Expressions

The DV-Xα Molecular-Orbital Calculation Method ◽

10.1007/978-3-319-11185-8_3 ◽

2014 ◽

pp. 49-106

Author(s):

Jun Yasui

Keyword(s):

Slater Type ◽

Analytical Expression ◽

Molecular Integrals

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Electronic Structure and Chemical Bonding of Li1.1Nb0.9O2−y as a Negative Electrode Material for Lithium Secondary Batteries

The DV-Xα Molecular-Orbital Calculation Method ◽

10.1007/978-3-319-11185-8_11 ◽

2014 ◽

pp. 291-301

Author(s):

Yang-Soo Kim ◽

Chan-Seo You ◽

Ri-Zhu Yin ◽

Changkeun Back ◽

Dong-yoon Lee ◽

...

Keyword(s):

Electronic Structure ◽

Electrode Material ◽

Chemical Bonding ◽

Negative Electrode ◽

Lithium Secondary Batteries ◽

Negative Electrode Material

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Energy Expression of the Chemical Bond Between Atoms in Hydrides and Oxides and Its Application to Materials Design

The DV-Xα Molecular-Orbital Calculation Method ◽

10.1007/978-3-319-11185-8_7 ◽

2014 ◽

pp. 183-213 ◽

Cited By ~ 1

Author(s):

Masahiko Morinaga ◽

Hiroshi Yukawa ◽

Hiromi Nakai

Keyword(s):

Chemical Bond ◽

Materials Design ◽

Energy Expression

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Applications of DV-Xα Method for New Material Design in Dye-Sensitized Solar Cell

The DV-Xα Molecular-Orbital Calculation Method ◽

10.1007/978-3-319-11185-8_9 ◽

2014 ◽

pp. 237-256

Author(s):

Dong-yoon Lee ◽

Yang-Soo Kim

Keyword(s):

Solar Cell ◽

Material Design ◽

Dye Sensitized Solar Cell ◽

Dye Sensitized ◽

New Material

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Comparison of Contributions to Interatomic Interactions Between Covalent and Ionic Bonds from Total Energy Calculations

The DV-Xα Molecular-Orbital Calculation Method ◽

10.1007/978-3-319-11185-8_5 ◽

2014 ◽

pp. 135-139

Author(s):

Kimichika Fukushima

Keyword(s):

Total Energy ◽

Energy Calculations ◽

Ionic Bonds

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The DV-Xα Molecular-Orbital Calculation MethodLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer International Publishing

Total Energy Calculation by DV-Xα Method and Its Accuracy

Atom-Atom Interaction Potential from the Gaussian Quadrature Method and Classical Molecular Dynamics

Wavelength of Luminescence and Energy Level Structure of Binuclear Copper(I) Complex

Chemical Bonding, Point Defects and Positron Lifetimes in FeSi2 from First-Principles Calculations

The DV-Xα Molecular Orbital Calculation Method and Recent Development

Analytical Expression of Molecular Integrals over Slater-Type Functions for Generating Their Polynomial Expressions

Electronic Structure and Chemical Bonding of Li1.1Nb0.9O2−y as a Negative Electrode Material for Lithium Secondary Batteries

Energy Expression of the Chemical Bond Between Atoms in Hydrides and Oxides and Its Application to Materials Design

Applications of DV-Xα Method for New Material Design in Dye-Sensitized Solar Cell

Comparison of Contributions to Interatomic Interactions Between Covalent and Ionic Bonds from Total Energy Calculations

The DV-Xα Molecular-Orbital Calculation Method
Latest Publications