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Quantum-Monte-Carlo Calculations for Bosons in a Two-Dimensional Harmonic Trap
Bose system the boson harmonic trap condensate oil fractions super fluid density gas condensate
2014/12/22
Path-Integral-Monte-Carlo simulation has been used to calculate the properties of a two-dimensional (2D) interacting Bose system. The bosons interact with hard-core potentials and are confined to a ha...
Quantum-Monte-Carlo calculations for Bosons in a two-dimensional harmonic trap
Simulation of the bose system bosons harmonic trap the fluid density
2014/12/22
Path-Integral-Monte-Carlo simulation has been used to calculate the properties of a two-dimensional (2D) interacting Bose system. The bosons interact with hard-core potentials and are confined to a ha...
Quantum mechanical calculations reveal the hidden states of enzyme active sites（图）
enzyme active sites Quantum mechanical
2014/12/1
Enzymes carry out fundamental biological processes such as photosynthesis, nitrogen fixation and respiration, with the help of clusters of metal atoms as “active” sites. But scientists lack basic info...
On the divergence of time-dependent perturbation theory applied to laser-induced molecular transitions: Analytical calculations (1)
time-dependent perturbation theory laser-induced molecular transitions Analytical calculations Mathematical Physics
2012/4/18
Shaped laser pulses are a powerful tool to induce population transfer between electronic molecular states, and time-dependent perturbation theory is suitable for a description of such a transfer in we...
Comment on "Response calculations with an independent particle system with an exact one-particle density matrix''
calculations independent particle system one-particle density matrix
2010/11/16
We point out an error in the argument [PRL 105, 013002 (2010)] that the time independence of the occupation numbers in the adiabatic approximation follows from the invariance of the ground-state inter...
Effective Field Theory and High-Precision Calculations of Nuclear Electroweak Processes
Effective Field Theory High-Precision Calculations of Nuclear Electroweak Processes
2011/1/7
High-precision calculations of electroweak processes in light nuclei are of great importance
for multiple reasons. Gerry Brown together with Dan-Olof Riska published in 1972 a famous calculation on r...
Calculations of the Spin-Lattice Coupling Coefficients
Fij and Zij for MgO:Co2+ Crystal
spin-lattice coupling coefficients electronic paramagnetic
resonance crystal- and ligand-field theory
Co2+ MgO crystal
2007/8/15
2001Vol.36No.4pp.487-490DOI:
Calculations of the Spin-Lattice Coupling Coefficients
Fij and Zij for MgO:Co2+ Crystal
ZHENG Wen-Chen1,2 and WU Shao-Yi1,2
1 Department of ...
Theoretical Calculations of Thermal Shifts of Ground-StateZero-Field-Splitting for Ruby
optical materials crystal fields electronic
paramagnetic resonance phonons thermal expansion
2007/8/15
2001Vol.36No.3pp.357-364DOI:
Theoretical Calculations of Thermal Shifts of Ground-StateZero-Field-Splitting for Ruby
MA Dong-Ping,1,2 CHEN Ju-Rong1 and MA Ning3
1 Depart...
Theoretical Calculations of Strain-Induced Splittings and/or Shifts of t232E and
t234A2
Levels for MgO:Cr3+
strain and stress splitting and shift of levels
ligand field admixture of wavefunctions single-electron
reduced matrix elements
2007/8/15
2001Vol.36No.2pp.219-226DOI:
Theoretical Calculations of Strain-Induced Splittings and/or Shifts of t232E and
t234A2
Levels for MgO:Cr3+
MA Dong-Ping,1,2 MA Ning3 and CHEN Ju-Ro...
Time-Dependent Density-Functional Calculations for Optical Spectra of Na2 and Na4 Clusters
time-dependent local density approximation optical response of cluster
2007/8/15
2007Vol.47No.5pp.901-904DOI:
Time-Dependent Density-Functional Calculations for Optical Spectra of Na2 and Na4 Clusters
ZHANG Yan-Ping,1,2,4 ZHANG Feng-Shou,1,3
MENG Ke-Lai,1,2,4...
First-Principle Calculations for Thermodynamic Properties
of LiBC Under High Temperature and High Pressure
thermal expansion heat capacity compressibility
LiBC full-potential linearized muffin-tin orbital
2007/8/15
2006Vol.46No.3pp.573-576DOI:
First-Principle Calculations for Thermodynamic Properties
of LiBC Under High Temperature and High Pressure
LIU Zhong-Li, CHENG Yan, TAN Ni-Na, and GO...
Higher Electric Multipole Moments for Some Polyatomic Molecules from
Accurate SCF Calculations
electric multipole moments Slater-type orbitals HFR approximation
2007/8/15
2002Vol.38No.4pp.489-492DOI:
Higher Electric Multipole Moments for Some Polyatomic Molecules from
Accurate SCF Calculations
Telhat Özdoğan
Department of Physic...
Microscopic-Theoretical Calculations of R-Line Thermal Shifts and Broadenings of
MgO:V2+
crystal fields optical properties electron-phonon
interaction electronic structure thermal shift and broadening
thermal expansion
2007/8/15
2002Vol.37No.5pp.631-636DOI:
Microscopic-Theoretical Calculations of R-Line Thermal Shifts and Broadenings of
MgO:V2+
MA Dong-Ping,1,2 LIU Yan-Yun,1 MA Ning,3 and CHEN Ju-Rong1
...
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
...
Microscopic Theoretical Calculations of R-Line ThermalShifts and Broadenings of MgO:Cr3+
crystal fields optical properties thermal shift
and broadening electron-phonon interaction thermal expansion
2007/8/15
2002Vol.37No.3pp.373-380DOI:
Microscopic Theoretical Calculations of R-Line ThermalShifts and Broadenings of MgO:Cr3+
MA Dong-Ping,1,2 LIU Yan-Yun,1 MA Ning3 andCHEN Ju-Rong1
...