화학공학소재연구정보센터
검색결과 : 24건
No. Article
1 Study of the low energy spectrum of titanium by using QMC methods
Buendia E, Caballero MA, Galvez FJ
Chemical Physics Letters, 693, 72, 2018
2 A quantum Monte Carlo study of mono(benzene) TM and bis(benzene) TM systems
Bennett MC, Kulahlioglu AH, Mitas L
Chemical Physics Letters, 667, 74, 2017
3 Benchmark Quantum Monte Carlo calculation of the enthalpy of formation of MgH2
Mao GY, Hu XR, Wu XB, Dai YC, Chu SB, Deng JB
International Journal of Hydrogen Energy, 36(14), 8388, 2011
4 New quantum Monte Carlo formulation for modeling trans-polyacetylene properties: specific heat calculation
Goumri-Said S, Aourag H
Polymer, 45(7), 2443, 2004
5 Quantum Monte-Carlo calculation of correlation functions of undistorted, cis-distorted and trans-distorted polyacene
Goumri-Said S, Aourag H, Salomon L, Dufour JP
Polymer, 44(5), 1765, 2003
6 Organic molecule-based ferrimagnetism as studied by numerical calculations of a model Hamiltonian
Shiomi D, Nishizawa M, Sato K, Mito M, Takeda K, Takui T
Molecular Crystals and Liquid Crystals, 376, 495, 2002
7 Electronic momentum distribution in the one-dimensional extended Hubbard model: determinantal Monte Carlo study
Goumri-Said S, Aourag H, Salomon L, Dufour JP
Polymer, 43(23), 6323, 2002
8 Optimal orbitals from energy fluctuations in correlated wave functions
Filippi C, Fahy S
Journal of Chemical Physics, 112(8), 3523, 2000
9 Anomalous isotope effect in Ar-H2S versus the normal effect in Ne-H2S
de Oliveira G, Dykstra CE
Journal of Chemical Physics, 110(1), 289, 1999
10 An accelerated Metropolis method
Stedman ML, Foulkes WMC, Nekovee M
Journal of Chemical Physics, 109(7), 2630, 1998