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浏览/检索结果: 共6条，第1-6条 帮助 已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Diverse trends of electron correlation effects for properties with different radial and angular factors in an atomic system: a case study in Ca+ 期刊论文 Journal of Physics B: Atomic, Molecular and Optical Physics, 2018, 卷号: 51, 期号: 5 作者:  Kumar,Pradeep;  Li,Cheng-Bin;  Sahoo,B K 收藏  |  浏览/下载：29/0  |  提交时间：2018/11/05 electron correlation effects  relativistic theory  atomic many-body methods  precision spectroscopy  31.15.A-  31.15.B-  31.15.V-  31.30.Gs   Exponential Thermal Tensor Network Approach for Quantum Lattice Models 期刊论文 PHYSICAL REVIEW X, 2018, 卷号: 8 作者:  Chen, Bin-Bin;  Chen, Lei;  Chen, Ziyu;  Li, Wei;  Weichselbaum, Andreas 收藏  |  浏览/下载：5/0  |  提交时间：2019/12/30 Crystal lattices  Ground state  Inverse problems  Iterative methods  Matrix algebra  Quantum entanglement  Statistical mechanics  Tensors  Thermodynamic properties  Entanglement properties  Ground state properties  Logarithmic temperature  Phase transition point  Quantum many-body systems  Tensor renormalization  Thermal phase transition  Two-dimensional (2-D) model  Chains   A unified thermostat scheme for efficient configurational sampling for classical/quantum canonical ensembles via molecular dynamics 期刊论文 JOURNAL OF CHEMICAL PHYSICS, 2017 Zhang, Zhijun; Liu, Xinzijian; Chen, Zifei; Zheng, Haifeng; Yan, Kangyu; Liu, Jian 收藏  |  浏览/下载：13/0  |  提交时间：2017/12/03 DISSIPATIVE PARTICLE DYNAMICS  MONTE-CARLO SIMULATIONS  PATH-INTEGRAL METHODS  MANY-BODY SYSTEMS  SYMPLECTIC INTEGRATORS  STATISTICAL PHYSICS  LANGEVIN DYNAMICS  QUANTUM-SYSTEMS  ALGORITHMS  WATER   Analytical derivative techniques for TDDFT excited-state properties: Theory and application 期刊论文 http://dx.doi.org/10.1007/s11426-013-5006-6, 2014 Chen DanPing; Liu Jie; Ma HuiLi; Zeng Qiao; Liang WanZhen; 刘婕; 梁万珍 收藏  |  浏览/下载：4/0  |  提交时间：2015/07/22 DENSITY-FUNCTIONAL THEORY  TAMM-DANCOFF APPROXIMATION  POTENTIAL-ENERGY SURFACES  TIME-DEPENDENT APPROACH  COUPLED-CLUSTER METHOD  MANY-BODY METHODS  2ND DERIVATIVES  GEOMETRY OPTIMIZATIONS  QUANTUM-CHEMISTRY  LARGE MOLECULES   A spin-adapted size-extensive state-specific multi-reference perturbation schemes. I. Formal developments 期刊论文 journal of chemical physics, 2012 Mao, Shuneng; Cheng, Lan; Liu, Wenjian; Mukherjee, Debashis 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/10 COUPLED-CLUSTER THEORY  MANY-BODY PERTURBATION  INCOMPLETE MODEL SPACES  SINGLE-REFERENCE FORMALISM  APPROXIMATION-LIKE METHODS  CONSISTENT CONFIGURATION-INTERACTION  MOLECULAR ELECTRONIC-STRUCTURE  GENERALIZED MOLLER-PLESSET  FIELD REFERENCE FUNCTIONS  FULL CCSDT MODEL   Quantum Monte Carlo calculated potential energy curve for the helium dimer 期刊论文 JOURNAL OF CHEMICAL PHYSICS, 2010, 卷号: 132, 期号: 20, 页码: - 作者:  Wu, XB;  Hu, XR;  Dai, YC;  Du, CL;  Chu, SB 收藏  |  浏览/下载：4/0  |  提交时间：2015/05/25 helium neutral molecules  many-body problems  Monte Carlo methods  potential energy surfaces  wave functions