For example, total energy, dipole moment, quadrupole moment, vibration frequency, reactivity, etc., and are used to explain some specific chemical problems.

This chapter is not finished yet, please click on the next page to continue reading the exciting content! This is what Xu Chuan did on the chemical model written for the Sichuan-Hai Institute of Materials Research.

But this does not affect his feeling that this road is difficult to completely navigate.

Because the calculation amount of any chemical method will increase exponentially or faster as the number of electrons increases.

Therefore, it is almost impossible to achieve accurate calculations on large-scale complex chemical systems, unless the legendary "quantum computer" is developed, and it must be a mature system that can be calculated with quite accurate theoretical methods.

This is the chemical material calculation model currently owned by the Chuanhai Institute of Materials.

With the addition of various branch modules and related data, today's mathematical model has become a behemoth.

If a large supercomputing center had not been established earlier, it would have been quite difficult to run this model.

"If it is difficult for traditional chemical theory to take the path of computational chemistry, how about trying quantum chemistry?"

With his fingers crossed and his thumbs pressed against his chin, Xu Chuan's pupils were dull and his thoughts drifted to another realm and direction.

The research object of chemistry is ultimately the interaction between microscopic physics such as electrons and atomic nuclei.

As for the laws of motion of microscopic objects, the best method is quantum mechanics developed in the 1930s.

Perhaps, the research methods of quantum chemistry will be more suitable for studying computational chemistry than traditional theoretical chemistry.

And, more importantly, it is many-body methods and computational methods that establish quantum chemistry.

The foundations of these two are chemical bond theory, density matrix theory, propagator theory, multi-level perturbation theory, group theory and graph theory, etc., most of which are in the field of mathematics!

Having found his research direction, Xu Chuan suddenly had a smile on his face.

If he has little confidence in himself in traditional chemistry, then in mathematics, no one is more suitable than him!
Chapter completed!