Automated property optimization via ab initio O(N) elongation method: Application to (hyper-)polarizability in DNA.

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Automated property optimization via ab initio O(N) elongation method: Application to (hyper-)polarizability in DNA.

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2016 nî lūn-bûn

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2016年の論文

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年学术文章

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Automated property optimization via ab initio O

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Automated property optimizatio ...... (hyper-)polarizability in DNA.

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Automated property optimization via ab initio O

@nl

Automated property optimizatio ...... (hyper-)polarizability in DNA.

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Automated property optimization via ab initio O

@nl

Automated property optimizatio ...... (hyper-)polarizability in DNA.

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P1476

Automated property optimizatio ...... (hyper-)polarizability in DNA.

@en

P2093

Yuriko Aoki

http://www.w3.org/2001/XMLSchema#string

Yuuichi Orimoto

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P2860

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Density-functional thermochemistry. III. The role of exact exchange

Direct calculation of electron density in density-functional theory

Elongation method for electronic structure calculations of random DNA sequences.

DNA--metal base pairs.

An elongation method for large systems toward bio-systems.

Design principles for solid-state lithium superionic conductors.

Systematic fragmentation method and the effective fragment potential: an efficient method for capturing molecular energies.

Strong electron correlation effects on first- and second-order hyperpolarizabilities in zwitterionic sigma-conjugated systems: its dependence on substituents, conformations, spacer size, and basis sets.

Theoretical design and simulation of supramolecular polymer unit based on multiple hydrogen bonds.

P304

024107

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P31

scholarly article

P356

10.1063/1.4956456

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P407

English

P433

http://www.w3.org/2001/XMLSchema#string

P478

145

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P577

2016-07-01T00:00:00Z

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P698

27421397

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