Published 1986
| Version v1
Book
Green's function Monte Carlo calculations of effective pi-electron Hamiltonian
Description
This paper reports on the Green's Function Monte Carlo method which is used to calculate the ground state energy and polarizability of a class of organic molecules with extended pi-electron systems. The most popular and accurate pi-electron Hamiltonian for these conjugated molecules is used, the Pariser-Parr-Pople Hamiltonian. This Hamiltonian includes long range coulomb interactions between electrons in addition to the usual Huckel hopping term
Additional details
Publishing Information
- Publisher
- Plenum Press.
- Imprint Place
- New York, NY (USA)
- Imprint Title
- Condensed matter theories: Vol. 1
- Journal Page Range
- p. 89-96.
Conference
- Title
- 9. international workshop on condensed matter theories.
- Dates
- 5-10 Aug 1985.
- Place
- San Francisco, CA (USA).
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 18062713
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- ATOMIC MODELS; CHARGE EXCHANGE; COULOMB FIELD; ELECTRON-ELECTRON INTERACTIONS; ELECTRON-NUCLEON INTERACTIONS; ELECTRONIC STRUCTURE; ELECTRONS; ENERGY DENSITY; GREEN FUNCTION; GROUND STATES; HAMILTONIANS; INTERACTION RANGE; MOLECULES; MONTE CARLO METHOD; NUCLEON-NUCLEON INTERACTIONS; ORGANIC COMPOUNDS; POLARIZABILITY; QUANTUM MECHANICS
- Descriptors DEC
- BARYON-BARYON INTERACTIONS; DISTANCE; ELECTRIC FIELDS; ELECTRICAL PROPERTIES; ELEMENTARY PARTICLES; ENERGY LEVELS; FERMIONS; FUNCTIONS; HADRON-HADRON INTERACTIONS; INTERACTIONS; LEPTON-BARYON INTERACTIONS; LEPTON-HADRON INTERACTIONS; LEPTON-LEPTON INTERACTIONS; LEPTON-NUCLEON INTERACTIONS; LEPTONS; MATHEMATICAL MODELS; MATHEMATICAL OPERATORS; MECHANICS; PARTICLE INTERACTIONS; PHYSICAL PROPERTIES; QUANTUM OPERATORS