Discovery of a General Method of Solving theSchr€odinger and Dirac Equations That Opens aWay to Accurately Predictive Quantum Chemistry

 HIROSHI NAKATSUJI*

 RECEIVED ON DECEMBER 30, 2011

 Just as Newtonian law governs classical physics,the Schr€odinger equation (SE) and the relativisticDirac equation (DE) rule the world of chemistry. So, ifwe can solve these equations accurately, wecan use computation to predict chemistry precisely.However, for approximately 80 years after thediscovery of these equations, chemists believed thatthey could not solve SE and DE for atoms andmolecules that included many electrons. This Accountreviews ideas developed over the past decade tofurther the goal of predictive quantum chemistry

https://citeseerx.ist.psu.edu/viewdoc/download?doi=10.1.1.659.2722&rep=rep1&type=pdf