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A New Pseudospectral Method for Calculations of Hydrogen Atom
in Arbitrary External Fields
pseudospectral magnetic fields hydrogen
2007/8/15
2002Vol.37No.1pp.15-20DOI:
A New Pseudospectral Method for Calculations of Hydrogen Atom
in Arbitrary External Fields
QIAO Hao-Xue1 and LI Bai-Wen1,2
1 Wuhan Institute o...
Calculations of Electron Structure of Endohedrally Confined
Helium Atom with B-Spline Type Functions
B-spline fullerene mirror collapse
2007/8/15
2002Vol.37No.2pp.221-224DOI:
Calculations of Electron Structure of Endohedrally Confined
Helium Atom with B-Spline Type Functions
QIAO Hao-Xue,1 SHI Ting-Yun1 and LI Bai-Wen2,3
...
Theoretical Calculations for Structural, Elastic and Thermodynamic
Properties of MgB2 under High Pressure
elastic constants thermodynamic properties full-potential
linearized muffin-tin orbital MgB2
2007/8/15
2006Vol.45No.3pp.558-564DOI:
Theoretical Calculations for Structural, Elastic and Thermodynamic
Properties of MgB2 under High Pressure
WANG Hai-Yan,1,2 CHENG Yan,1,2 CHEN Xiang-Ro...
A Correlation Potential Method for Electron Scattering Total Cross Section Calculations on Several Diatomic and Polyatomic Molecules over Energy Range 10～5000 eV
total cross section additivity rule atomic and molecular collision
2007/8/15
2005Vol.43No.2pp.309-314DOI:
A Correlation Potential Method for Electron Scattering Total Cross
Section Calculations on Several Diatomic and Polyatomic Molecules over
Energy Range 10～5000 ...
Pseudopotential Density-Functional
Calculations for Structures of Small Carbon Clusters
CN (N=2～8)
pseudopotential density-functional theory real space
Langevin molecular dynamics annealing technique small carbon clusters
2007/8/15
2004Vol.41No.1pp.89-94DOI:
Pseudopotential Density-Functional
Calculations for Structures of Small Carbon Clusters
CN (N=2～8)
BAI Yu-Lin,1,2 CHEN Xiang-Rong,1 YANG
Xiang-Dong,1,...
专著信息
书名
Reactions of zirconium and hafnium atoms with ammonia. Matrix infrared spectra and density functional calculations of the MNH3 and H2MNH (M=Zr and Hf) molecules.
语种
英文
撰写或编译
作者
M. F. Zhou,M. H...
A New Method for the Preparation of Pyridazine Systems: Experimental Data and Semiempirical PM3 Calculations
Hydrazide furandione pyridazine semiempirical PM3
2010/4/19
The reactions of 4-benzoyl-5-phenyl-2,3-furandione (1a) and 4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-2,3-furandione (1b) with acyl hydrazines (2) (namely hydrazides) are reported. From these reactions...
Effects of grid size and aggregation on regional scale landuse scenario calculations using SVAT schemes
grid size and aggregation regional scale landuse scenario calculations SVAT schemes
2010/1/26
This paper analyses the effect of spatial input data resolution on the simulated effects of regional scale landuse scenarios using the TOPLATS model. A data set of 25 m resolution of the central Germa...
Synthesis and Biological Activities of N-Alkyl Derivatives of o-, m-, and p-Nitro (E)-4-Azachalcones and Stereoselective Photochemistry in Solution, with Theoretical Calculations
Nitro-(E)-4-azachalcones nitro-(E)-N-decyl-4-azachalconium bromide photodimerisation antimicrobial and antioxidant activities
2010/4/19
The N-alkyl derivatisation and photochemical dimerisation of 3 o-, m-, and p-nitro substituted 4-azachalcones (1-3) yielded 3 new o-, m-, and p-nitro substituted (E)-N-decyl-4-azachalconium bromides, ...
The Calculations of Oscillator Strengths and Transition Probabilities for Atomic Fluorine
Transition probabilities oscillator strengths the weakest bound electron potential model theory atomic fluorine
2010/4/9
Oscillator strengths for transitions between individual lines belonging to some doublet and quartet terms, and multiplet transition probabilities of atomic fluorine have been calculated using weakest ...
IBM-2 Calculations of Selected Even-Even Palladium Nuclei
Palladium electromagnetic transition multipolarity Interacting Boson Model-2 (IBM-2)
2010/4/9
In this study, we have employed the Interacting Boson Model-2 (IBM-2) to determine the most appropriate Hamiltonian for the study of palladium nuclei. Using the best fit values of parameters to constr...
IBM-2 Calculations of Selected Even-Even Ruthenium Nuclei
Rruthenium electromagnetic transition multipolarity Interacting Boson Model-2 (IBM-2) deformation parameters
2010/4/9
In this study, we have employed the Interacting Boson Model-2 (IBM-2) to determine the most appropriate Hamiltonian for the study of ruthenium nuclei in the region A \cong 100. Using the best fit valu...
Primary production calculations in the Mid-Atlantic Bight, including effects of phytoplankton community size structure
Primary production calculations Mid-Atlantic Bight including effects phytoplankton community size structure
2014/5/9
We developed an absorption-based primary production model that includes the effects of phytoplankton community size structure for the continental margin and adjoining Gulf Stream waters of the Middle ...
Schematic Coupled-Channel Calculations for Nuclear Reactions with Unstable Beams
Schematic Coupled-Channel Calculations Nuclear Reactions Unstable Beams
2010/10/26
We study nuclear reactions in collisions of unstable projectiles with heavy targets. For this purpose, we use a simple approximation for the breakup channel and treat two-neutron halos as a single par...
Single Mode Optical Radiation Distribution and Reflectivity Calculations in Novel-Hot Electron Light Emission and Lasing In Semiconductor Heterostructures VCSELs
Optical Radiation Distribution Electron Light Emission Reflectivity Calculations
2010/4/12
In this work, we calculate the power reflectivity in vertical cavity surface emitting lasers (VCSELs) using a new method. In VCSELs, the stop band of the reflectivity spectrum should exhibit a dip at ...