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Riken review. (29)
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→ (26) [30] -
→ (27) [27] -
→ (28) [35] -
↓ (29) [37] -
・ Introduction -
・ Opening address -
・ Understanding electronic promotion and poisoning with the Harris functional -
・ Defects and dynamics at oxide surfaces from first principles -
・ First-principles study of chemical reactions at metal surfaces -
・ First-principles DFT study of ethylene adsorption on Pd(110) -
・ Separation of procedures in numerics -
・ The forced oscillator method : its applications to physical systems -
・ Efficient scheme to calculate Green functions by recursive polynomial expansion -
・ Calculating response functions in time domain with non-orthonormal basis sets -
・ Calculation of linear/non-linear optical response functions of large quantum systems by real-time real-space higher-order finite-difference method -
・ Path-integral simulation of solid hydrogen under high pressure -
・ Elastic properties as a pointer to phase transitions -
・ First principle calculations of materials deep inside the earth -
・ Large scale DFT calculations with SIESTA -
・ Wannier states in order-N electronic-structure method -
・ Time-dependent density functional molecular dynamics simulation -
・ Embedding methods for large-scale surface calculations -
・ The photo-spintronics : a possible way to quantum devices -
・ Numerical simulation of quantum dynamics in dissipative environment : study of resonant tunneling of nanoscale molecule magnets -
・ Molecules in intense laser fields : from Coulomb explosion to high order harmonic generation -
・ Development of a dual transformation method and its application to electronic and nuclear dynamics in intense laser fields -
・ Harmonic generation by atoms interacting with intense ultrashort laser pulses -
・ Fast and stable method for simulating quantum electron dynamics -
・ Wave-packet dynamics by optimized polynomials methods -
・ Linear scaling computation of excited states -
・ Decoherence of the field state in the single-mode laser -
・ Ab Initio calculations of the molecular switching mechanism of Ras p21 -
・ Silver-induced reconstruction of Ge(001) using first-principle calculation -
・ α-helix propensities of homo-oligomers in aqueous solution studied by multicanonical simulations -
・ Path integral molecular dynamics for Bose-Einstein and Fermi-Dirac statistics -
・ First-principles molecular dynamics simulations of structural phase transitions in Si -
・ Calculations for a delta function of Hamiltonian by the Suzuki-Trotter decomposition -
・ Protein hydrolysis mechanism of HIV-1 protease : investigation by the ab initio MO calculations -
・ Structural and electronic properties of compressed selenium and tellurium under high pressure -
・ Applications of O(N) methods to linear response coeffecients -
・ Reports on Riken symposia
-
-
→ (30) [12] -
→ (31) [19]
-
-
→ 2001 (11) -
→ 2002 (7) -
→ 2003 (1)
-
-
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- info:ndljp/pid/8428537
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- Riken review
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- Institute of Physical and Chemical Research
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Riken review
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日本
- Publisher (publisher)
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Institute of Physical and Chemical Research
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0919-3405
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info:ndljp/pid/8428537
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http://dl.ndl.go.jp/info:ndljp/pid/8428537
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000000153337
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eng
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独立行政法人
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2014-02-25T16:40:11Z
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国立国会図書館電子図書館課_406
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1
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- Riken review. (29)
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Riken review
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(29)
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日本
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Institute of Physical and Chemical Research
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2000-06
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Large-scale calculation of electronic states
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http://warp.da.ndl.go.jp/info:ndljp/pid/234268/www.riken.jp/lab-www/library/publication/review/pdf/No_29/29_109.pdf - Persistent ID (identifier:NDLJP)
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info:ndljp/pid/8428549
- URL (identifier:URI)
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http://dl.ndl.go.jp/info:ndljp/pid/8428549
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-
eng
- Collection Information (type:collection)
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独立行政法人
- Date of Accession (W3CDTF format) (dateAccepted:W3CDTF)
-
2014-02-25T16:40:11Z
- Date of Acquisition (W3CDTF format) (dateCaptured:W3CDTF)
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2004-04-06
- Provider (provider)
-
国立国会図書館電子図書館課_406
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Available Online
- Bibliographic Level (type:biblevel)
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2
- Acquisition Basis (acquisition_basis)
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インターネット資料収集保存事業
- Table of Contents (tableOfContents)
-
Introduction / (29_001.pdf)
Opening address / (29_003.pdf)
Understanding electronic promotion and poisoning with the Harris functional / (29_005.pdf)
Defects and dynamics at oxide surfaces from first principles / (29_008.pdf)
First-principles study of chemical reactions at metal surfaces / (29_009.pdf)
First-principles DFT study of ethylene adsorption on Pd(110) / (29_012.pdf)
Separation of procedures in numerics / (29_014.pdf)
The forced oscillator method : its applications to physical systems / (29_016.pdf)
Efficient scheme to calculate Green functions by recursive polynomial expansion / (29_020.pdf)
Calculating response functions in time domain with non-orthonormal basis sets / (29_025.pdf)
Calculation of linear/non-linear optical response functions of large quantum systems by real-time real-space higher-order finite-difference method / (29_029.pdf)
Path-integral simulation of solid hydrogen under high pressure / (29_033.pdf)
Elastic properties as a pointer to phase transitions / (29_034.pdf)
First principle calculations of materials deep inside the earth / (29_039.pdf)
Large scale DFT calculations with SIESTA / (29_042.pdf)
Wannier states in order-N electronic-structure method / (29_045.pdf)
Time-dependent density functional molecular dynamics simulation / (29_047.pdf)
Embedding methods for large-scale surface calculations / (29_049.pdf)
The photo-spintronics : a possible way to quantum devices / (29_052.pdf)
Numerical simulation of quantum dynamics in dissipative environment : study of resonant tunneling of nanoscale molecule magnets / (29_053.pdf)
Molecules in intense laser fields : from Coulomb explosion to high order harmonic generation / (29_055.pdf)
Development of a dual transformation method and its application to electronic and nuclear dynamics in intense laser fields / (29_060.pdf)
Harmonic generation by atoms interacting with intense ultrashort laser pulses / (29_066.pdf)
Fast and stable method for simulating quantum electron dynamics / (29_070.pdf)
Wave-packet dynamics by optimized polynomials methods / (29_073.pdf)
Linear scaling computation of excited states / (29_077.pdf)
Decoherence of the field state in the single-mode laser / (29_080.pdf)
Ab Initio calculations of the molecular switching mechanism of Ras p21 / (29_085.pdf)
Silver-induced reconstruction of Ge(001) using first-principle calculation / (29_088.pdf)
α-helix propensities of homo-oligomers in aqueous solution studied by multicanonical simulations / (29_091.pdf)
Path integral molecular dynamics for Bose-Einstein and Fermi-Dirac statistics / (29_092.pdf)
First-principles molecular dynamics simulations of structural phase transitions in Si / (29_094.pdf)
Calculations for a delta function of Hamiltonian by the Suzuki-Trotter decomposition / (29_097.pdf)
Protein hydrolysis mechanism of HIV-1 protease : investigation by the ab initio MO calculations / (29_100.pdf)
Structural and electronic properties of compressed selenium and tellurium under high pressure / (29_103.pdf)
Applications of O(N) methods to linear response coeffecients / (29_106.pdf)
Reports on Riken symposia / (29_109.pdf) - URL
- http://dl.ndl.go.jp/info:ndljp/pid/8428549
No. | Name | File Name | Size |
---|---|---|---|
1 | Introduction | 29_001.pdf | 36538 bytes |
2 | Opening address | 29_003.pdf | 28092 bytes |
3 | Understanding electronic promotion and poisoning with the Harris functional | 29_005.pdf | 779429 bytes |
4 | Defects and dynamics at oxide surfaces from first principles | 29_008.pdf | 17268 bytes |
5 | First-principles study of chemical reactions at metal surfaces | 29_009.pdf | 1844904 bytes |
6 | First-principles DFT study of ethylene adsorption on Pd(110) | 29_012.pdf | 858104 bytes |
7 | Separation of procedures in numerics | 29_014.pdf | 55388 bytes |
8 | The forced oscillator method : its applications to physical systems | 29_016.pdf | 159355 bytes |
9 | Efficient scheme to calculate Green functions by recursive polynomial expansion | 29_020.pdf | 210608 bytes |
10 | Calculating response functions in time domain with non-orthonormal basis sets | 29_025.pdf | 124897 bytes |
11 | Calculation of linear/non-linear optical response functions of large quantum systems by real-time real-space higher-order finite-difference method | 29_029.pdf | 211887 bytes |
12 | Path-integral simulation of solid hydrogen under high pressure | 29_033.pdf | 31851 bytes |
13 | Elastic properties as a pointer to phase transitions | 29_034.pdf | 164775 bytes |
14 | First principle calculations of materials deep inside the earth | 29_039.pdf | 121294 bytes |
15 | Large scale DFT calculations with SIESTA | 29_042.pdf | 87159 bytes |
16 | Wannier states in order-N electronic-structure method | 29_045.pdf | 81489 bytes |
17 | Time-dependent density functional molecular dynamics simulation | 29_047.pdf | 64860 bytes |
18 | Embedding methods for large-scale surface calculations | 29_049.pdf | 107458 bytes |
19 | The photo-spintronics : a possible way to quantum devices | 29_052.pdf | 17490 bytes |
20 | Numerical simulation of quantum dynamics in dissipative environment : study of resonant tunneling of nanoscale molecule magnets | 29_053.pdf | 111548 bytes |
21 | Molecules in intense laser fields : from Coulomb explosion to high order harmonic generation | 29_055.pdf | 162180 bytes |
22 | Development of a dual transformation method and its application to electronic and nuclear dynamics in intense laser fields | 29_060.pdf | 2459594 bytes |
23 | Harmonic generation by atoms interacting with intense ultrashort laser pulses | 29_066.pdf | 133906 bytes |
24 | Fast and stable method for simulating quantum electron dynamics | 29_070.pdf | 258141 bytes |
25 | Wave-packet dynamics by optimized polynomials methods | 29_073.pdf | 332018 bytes |
26 | Linear scaling computation of excited states | 29_077.pdf | 98520 bytes |
27 | Decoherence of the field state in the single-mode laser | 29_080.pdf | 267823 bytes |
28 | Ab Initio calculations of the molecular switching mechanism of Ras p21 | 29_085.pdf | 3643392 bytes |
29 | Silver-induced reconstruction of Ge(001) using first-principle calculation | 29_088.pdf | 113132 bytes |
30 | α-helix propensities of homo-oligomers in aqueous solution studied by multicanonical simulations | 29_091.pdf | 36470 bytes |
31 | Path integral molecular dynamics for Bose-Einstein and Fermi-Dirac statistics | 29_092.pdf | 103941 bytes |
32 | First-principles molecular dynamics simulations of structural phase transitions in Si | 29_094.pdf | 101182 bytes |
33 | Calculations for a delta function of Hamiltonian by the Suzuki-Trotter decomposition | 29_097.pdf | 128960 bytes |
34 | Protein hydrolysis mechanism of HIV-1 protease : investigation by the ab initio MO calculations | 29_100.pdf | 239273 bytes |
35 | Structural and electronic properties of compressed selenium and tellurium under high pressure | 29_103.pdf | 88154 bytes |
36 | Applications of O(N) methods to linear response coeffecients | 29_106.pdf | 132615 bytes |
37 | Reports on Riken symposia | 29_109.pdf | 14102 bytes |