Microscopy method for obtaining image of sample placed on supporting surface, comprises comprehensive atom by atom representation and modelling of inter-atomic interactions using quantum chemistry

摘要

The method which uses quantum chemistry modelling consists of a first stage in which a pointed microscope is displaced in the vicinity of a sample on a supporting surface and a second stage in which the energy traversing the point is read. The process is iterative and leads to a representation of the sample by using either Electron scattering in quantum chemistry or a method MM2 and an atomic force microscope. The algorithm which applies to the MM2 method and atomic force microscope has stages which establish the system structure including position and nature of atoms (1000), test connectivity such as hybridization and aromaticity (1005), read physical chemistry parameters such as lengths and angles (1010), classify atoms by type, state of hybridization and close neighbors (1015), define interactions used in calculation (1020), classify the interactions (1025), prepare calibration curves (1030), displace the microscope point (1035), optimize system geometry (1040), and display results such as height of point and force on point (1045).