Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

CRC Press eBooks

Conclusions

George C. Shields

Published Dec 7, 2013• 0 citations
Publisher

Abstract

The underlying physical laws necessary for the mathematical theory of a large part of physics and the whole of chemistry are thus completely known, and the difficulty is only that the exact application of these laws leads to equations much too complicated to be soluble. It therefore becomes desirable that approximate practical methods of applying quantum mechanics should be developed, which can lead to an explanation of the main features of complex atomic systems without too much computation.

DOI
10.1201/b16128-16

Related papers

Quantum mechanics gets real

Jonathan Tennyson

In 1929 Paul Dirac pronounced that "the underlying physical laws necessary for the mathematical theory for a large part of physics and the whole of chemistry are...completely known". While the fundamental aspects of non-relativistic quantum mechanics have remained essentially unchanged ever since, physics and chemistry have been driven largely by experiment. Dirac had the answer to that too. To his comment he added a rider: "The difficulty is only that the exact application of these laws leads to equations much too complicated to be soluble."

Physics World•Nov 1, 2003•2 citations

A new chapter in the problem of the reduction of chemistry to physics: the Quantum Theory of Atoms in Molecules

Jesús Alberto Jaimes Arriaga, Sebastián Fortín, Olímpia Lombardi

Foundations of Chemistry•Jan 1, 2019•14 citations

Application of Quantum Mechanics to Simple Problems of Atomic Physics

Reinhold Fürth

Elsevier eBooks•Jan 1, 1970•0 citations

Quantum Theory and Quantum Chemistry: Past, Present and Future

Zhigang Shuai

Abstract Chemistry is about the atom and molecule, motion of which follows quantum mechanics established 100 years ago by Werner Heisenberg, inspired by a number of milestone findings including Max Planck’s first quanta concept for black body radiation, Albert Einstein’s photon concept for photoelectric effect and oscillator quanta for heat capacity of solid, and Niels Bohr’s quantum model for atomic structure. Independently, inspired by Louis de Broglie’s particle-wave duality, Erwin Schrödinger established wave mechanics, which is shown to be equivalent to Heisenberg’s mechanics by Paul Dirac. The latter further established the relativistic quantum mechanics, and then claimed that the underlying physical laws necessary for the mathematical theory of a large part of physics and the whole of chemistry are thus completely known, and the difficulty is only that the exact application of these laws lead to equations much too complicated to be soluble. In the occasion of celebrating The International Year of Quantum Science and Technology (IYQ 2025, quantum2025.org), we will present a heuristic review of the development of quantum theory and its application to chemistry, namely, quantum chemistry (QC). Then, we will discuss some of the current challenges and the future developments, especially on the quantum computing for quantum chemistry (QCQC).

Chemistry International•Jul 1, 2025•0 citations

Large-N quantum mechanics and classical limits

Laurence G. Yaffe

For a physical theory to be useful, we should be able to extract from it quantitative predictions for physical observables. With most theories, this process of practical application requires some approximation method that is both tractable and adequately accurate. The lack of a useful approximation scheme can seriously impede progress in a field of research. Molecular quantum mechanics and critical phenomena, for example, have both suffered from this problem during periods of their development. The physics of strong interactions is in such a period today. Naturally, our inability to extract useful predictions from a promising theory is a strong incentive to develop novel approximation techniques.

Physics Today•Aug 1, 1983•61 citations

Quantum Mechanics 1

N. J. B. Green

Quantum Mechanics 1 starts from the basis that quantum mechanics is of central importance in chemistry. To understand matter and its chemical transformation it is necessary to take a microscopic view connecting experimental observation to the properties of constituent molecules. However, at this microscopic level, atoms and sub-atomic particles do not obey the classical laws of mechanics that pertain to the everyday macroscopic world. They obey the laws of quantum mechanics. This text explains the fundamentals of quantum mechanics from the point of view of chemistry; describes areas of chemistry where quantum mechanics is most important; and shows how quantum mechanics is applied to chemical problems. To this end, the book is divided into two parts: the first deals with the foundations of quantum mechanics (concentrating on exactly soluble problems and the reduction of complicated problems to simple foundations) and the second is a tool kit for applying quantum mechanics to chemical problems (thus concentrating on approximate methods).

Oxford University Press eBooks•Sep 11, 1997•9 citations
The underlying physical laws necessary for the mathematical theory of a large part of physics and the whole of chemistry are thus completely known, and the difficulty is only that the exact application of these laws leads to equations much too complicated to be soluble. It therefore becomes desirable that approximate practical methods of applying quantum mechanics should be developed, which can lead to an explanation of the main features of complex atomic systems without too much computation.
In 1929 Paul Dirac pronounced that "the underlying physical laws necessary for the mathematical theory for a large part of physics and the whole of chemistry are...completely known". While the fundamental aspects of non-relativistic quantum mechanics have remained essentially unchanged ever since, physics and chemistry have been driven largely by experiment. Dirac had the answer to that too. To his comment he added a rider: "The difficulty is only that the exact application of these laws leads to equations much too complicated to be soluble."
Abstract Chemistry is about the atom and molecule, motion of which follows quantum mechanics established 100 years ago by Werner Heisenberg, inspired by a number of milestone findings including Max Planck’s first quanta concept for black body radiation, Albert Einstein’s photon concept for photoelectric effect and oscillator quanta for heat capacity of solid, and Niels Bohr’s quantum model for atomic structure. Independently, inspired by Louis de Broglie’s particle-wave duality, Erwin Schrödinger established wave mechanics, which is shown to be equivalent to Heisenberg’s mechanics by Paul Dirac. The latter further established the relativistic quantum mechanics, and then claimed that the underlying physical laws necessary for the mathematical theory of a large part of physics and the whole of chemistry are thus completely known, and the difficulty is only that the exact application of these laws lead to equations much too complicated to be soluble. In the occasion of celebrating The International Year of Quantum Science and Technology (IYQ 2025, quantum2025.org), we will present a heuristic review of the development of quantum theory and its application to chemistry, namely, quantum chemistry (QC). Then, we will discuss some of the current challenges and the future developments, especially on the quantum computing for quantum chemistry (QCQC).
For a physical theory to be useful, we should be able to extract from it quantitative predictions for physical observables. With most theories, this process of practical application requires some approximation method that is both tractable and adequately accurate. The lack of a useful approximation scheme can seriously impede progress in a field of research. Molecular quantum mechanics and critical phenomena, for example, have both suffered from this problem during periods of their development. The physics of strong interactions is in such a period today. Naturally, our inability to extract useful predictions from a promising theory is a strong incentive to develop novel approximation techniques.
Quantum Mechanics 1 starts from the basis that quantum mechanics is of central importance in chemistry. To understand matter and its chemical transformation it is necessary to take a microscopic view connecting experimental observation to the properties of constituent molecules. However, at this microscopic level, atoms and sub-atomic particles do not obey the classical laws of mechanics that pertain to the everyday macroscopic world. They obey the laws of quantum mechanics. This text explains the fundamentals of quantum mechanics from the point of view of chemistry; describes areas of chemistry where quantum mechanics is most important; and shows how quantum mechanics is applied to chemical problems. To this end, the book is divided into two parts: the first deals with the foundations of quantum mechanics (concentrating on exactly soluble problems and the reduction of complicated problems to simple foundations) and the second is a tool kit for applying quantum mechanics to chemical problems (thus concentrating on approximate methods).