Electrostatic point charge fitting as an inverse problem: Revealing the underlying ill-conditioning.
Ivanov, Maxim V
Electrostatic point charge fitting as an inverse problem: Revealing the underlying ill-conditioning. [electronic resource] - The Journal of chemical physics Oct 2015 - 134102 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S.
1089-7690
10.1063/1.4932105 doi
Least-Squares Analysis
Molecular Dynamics Simulation
Static Electricity
Electrostatic point charge fitting as an inverse problem: Revealing the underlying ill-conditioning. [electronic resource] - The Journal of chemical physics Oct 2015 - 134102 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S.
1089-7690
10.1063/1.4932105 doi
Least-Squares Analysis
Molecular Dynamics Simulation
Static Electricity