Multi isosurface display of atomic orbitals using surround screen projection based virtual reality system

Abstract

Isosurface has been used for the display of hydrogen atomic orbital. Isosurface is a surface build by connecting points having a same function value. This method is well suited for the representation of the shape of an atomic orbital, however, it is necessary to use cross sectional contour plot for the presentation of the map of various functional values in an atomic orbital. In this study, we used CAVE to represent shape and function map simultaneously, which is impossible by a conventional plane display system. Isosurfaces having various function values were calculated for an atomic orbital and projected over four 3*3m screens of a CAVE. Isosurfaces are displayed by a half transparent technique so that inner surfaces are to be recognized. As the viewer moves in the CAVE, the system is possible to move on our viewpoints in 4 screens is realize virtual reality in an atomic orbital. We termed the alone displaying method as multi isosurface display.