Published 1977 | Version v1
Journal article

Impact of the Heitler--London hydrogen molecule paper on chemistry

Creators

  • 1. Harvard Univ., Cambridge, MA

Description

This year marks the fiftieth anniversary of the justly celebrated paper by Heitler and London on the quantum mechanical treatment of the hydrogen molecule. A brief survey is given of some of the more important papers built on the Heitler-London classic. In addition, the question of the physical interpretation of approximate wave functions is discussed and some of the pitfalls exemplified. Several different analyses of the bonding are reviewed, and it is concluded that the most satisfactory physical interpretation is that based on the Hellmann-Feynman theorem: the true wave function is the function which minimizes the sum of the potential and kinetic energies. This causes some excess charge in the central region so as to minimize the kinetic energy at least cost in potential energy. This excess electronic charge holds the nuclei together, much as was postulated by G. N. Lewis

Additional details

Additional titles

Augmented title (English)
Review, quantum mechanics

Publishing Information

Journal Title
Int. J. Quant. Chem., Symp.
Journal Issue
no.11
Series
Int. J. Quant. Chem., Symp.

Conference

Title
International symposium on atomic, molecular, and solid state theory, collision phenomenon, and computational methods.
Dates
16 Jan 1977.
Place
Sanibel Island, Florida, USA.

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
9380598
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Resource subtype / Literary indicator
Conference
Descriptors DEI
ELECTRONIC STRUCTURE; HYDROGEN; KINETIC ENERGY; POTENTIAL ENERGY; REVIEWS; WAVE FUNCTIONS
Descriptors DEC
DOCUMENT TYPES; ELEMENTS; ENERGY; FUNCTIONS; NONMETALS