Review of ab initio wave-function based approaches for calculation of molecular (response) propertie
Abstract: Molecular quantum mechanics relates molecular properties to the motion and interactions of...
Quantum Monte Carlo methods are accurate and promising many body techniques for electronic structure...
Quantum Monte Carlo methods are accurate and promising many body techniques for electronic structure...
The research presented in this thesis makes use of theoretical/computational techniques to calculate...
SIGLEAvailable from British Library Document Supply Centre- DSC:DX94074 / BLDSC - British Library Do...
We outline a new approach for the calculation of higher-order molecular properties for self-consiste...
We give an account of some recent advances in the development of ab initio methods for the calculati...
A few recent achievements within the area of the accurate determination of molecular (response) prop...
Computational quantum chemistry is the branch of chemistry derived from quantum mechanics to calcula...
Recent applications of density functional theory base ab initio molecular dynamics in chemical relev...
Incl. article reprint at the backAvailable from British Library Document Supply Centre- DSC:D59287 /...
This thesis presents the implementation and application of a computer program for the open-ended cal...
This is a preliminary study toward implementation of analytic density functional response approach f...
Molecular orbital and valence bond methods for obtaining approximate electronic wavefunctions are de...
Author Institution: Chemistry Department, Rice UniversityThis presentation will address recent advan...
Abstract: Molecular quantum mechanics relates molecular properties to the motion and interactions of...
Quantum Monte Carlo methods are accurate and promising many body techniques for electronic structure...
Quantum Monte Carlo methods are accurate and promising many body techniques for electronic structure...
The research presented in this thesis makes use of theoretical/computational techniques to calculate...
SIGLEAvailable from British Library Document Supply Centre- DSC:DX94074 / BLDSC - British Library Do...
We outline a new approach for the calculation of higher-order molecular properties for self-consiste...
We give an account of some recent advances in the development of ab initio methods for the calculati...
A few recent achievements within the area of the accurate determination of molecular (response) prop...
Computational quantum chemistry is the branch of chemistry derived from quantum mechanics to calcula...
Recent applications of density functional theory base ab initio molecular dynamics in chemical relev...
Incl. article reprint at the backAvailable from British Library Document Supply Centre- DSC:D59287 /...
This thesis presents the implementation and application of a computer program for the open-ended cal...
This is a preliminary study toward implementation of analytic density functional response approach f...
Molecular orbital and valence bond methods for obtaining approximate electronic wavefunctions are de...
Author Institution: Chemistry Department, Rice UniversityThis presentation will address recent advan...
Abstract: Molecular quantum mechanics relates molecular properties to the motion and interactions of...
Quantum Monte Carlo methods are accurate and promising many body techniques for electronic structure...
Quantum Monte Carlo methods are accurate and promising many body techniques for electronic structure...