First-principles quantum Monte Carlo studies for prediction of double minima for positronic hydrogen molecular dianion

2020 ◽  
Vol 153 (22) ◽  
pp. 224305
Author(s):  
Shumpei Ito ◽  
Daisuke Yoshida ◽  
Yukiumi Kita ◽  
Masanori Tachikawa
Keyword(s):  
Monte Carlo ◽  
First Principles ◽  
Quantum Monte Carlo ◽  
Monte Carlo Studies

scholarly journals A first-principles Quantum Monte Carlo study of two-dimensional (2D) GaSe

2020 ◽  
Vol 153 (15) ◽  
pp. 154704
Author(s):  
Daniel Wines ◽  
Kayahan Saritas ◽  
Can Ataca
Keyword(s):  
Monte Carlo ◽  
First Principles ◽  
Quantum Monte Carlo ◽  
Monte Carlo Study ◽  
Two Dimensional

Experimental, DFT and quantum Monte Carlo studies of a series of peptide-based metal–organic frameworks: synthesis, structures and properties

2014 ◽  
Vol 1 (7) ◽  
pp. 526-533 ◽  
Author(s):  
Gui-lin Zhuang ◽  
Li Tan ◽  
Wu-lin Chen ◽  
Jun Zheng ◽  
Hong-zhou Yao ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Quantum Monte Carlo ◽  
Monte Carlo Calculation ◽  
Metal Organic Frameworks ◽  
Experimental Measurements ◽  
Function Structure ◽  
Structures And Properties ◽  
Structure Relation ◽  
Monte Carlo Studies ◽  
Metal Organic

Properties and the function–structure relation of four peptide-based MOFs were identified by experimental measurements, DFT and quantum Monte Carlo calculation.

Synthesis, magnetism and quantum Monte Carlo studies of two Cu(II)-based ferromagnetic coordination polymers

2012 ◽  
Vol 22 ◽  
pp. 18-21 ◽  
Author(s):  
Gui-lin Zhuang ◽  
Wen-xian Chen ◽  
Jun Zheng ◽  
Wu-lin Chen ◽  
Jian-guo Wang
Keyword(s):  
Monte Carlo ◽  
Coordination Polymers ◽  
Quantum Monte Carlo ◽  
Monte Carlo Studies
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