
Phys. Chem. Chem. Phys. 14, 9411-20
... AQS, although some of them could also be used on DQS. 2.2.1 Preparing the quantum state into an initial state. In principle, there are two ways to simulate a chemical system.65,66 One is the second quantization method where the Born– Oppenheimer approximation is adopted. It considers that electrons ...
... AQS, although some of them could also be used on DQS. 2.2.1 Preparing the quantum state into an initial state. In principle, there are two ways to simulate a chemical system.65,66 One is the second quantization method where the Born– Oppenheimer approximation is adopted. It considers that electrons ...
Adding quantum effects to the semi-classical molecular
... number of DOF, so the exact quantum mechanical calculations are currently still limited to the molecular systems involving a small number of atoms. MD utilizing force field1-13 has been widely implemented for treating condensed phase systems and bio-molecules. Conventional MD is based on two critic ...
... number of DOF, so the exact quantum mechanical calculations are currently still limited to the molecular systems involving a small number of atoms. MD utilizing force field1-13 has been widely implemented for treating condensed phase systems and bio-molecules. Conventional MD is based on two critic ...
A THEORY OF DEDUCTION FOR QUANTUM MECHANICS Abstract
... relation of accessibility by embedding quantum logic into a modal system which is much weaker than those employed by Dishkant (1977) and Dalla Chiara (1986) although the same translations have been used. ...
... relation of accessibility by embedding quantum logic into a modal system which is much weaker than those employed by Dishkant (1977) and Dalla Chiara (1986) although the same translations have been used. ...