Add to ORKGDMRG+QTT approach to computation of the ground state for the molecular Schrödinger operator (revised version: December 2011) b
The ground state energy of the hydrogen molecule was numerically analysed using the quantum Monte Ca...
An introduction to the principles of quantum mechanics needed in physical chemistry. Mathematical to...
The nuclear-electronic orbital (NEO) method is a multicomponent approach that allows the quantum mec...
existence of a ground state. 2. Proving existence of a ground state: vacuum overlap, Rellich-Kondrac...
industrial challenges for quantum chemistry; methods to calculate the properties of large molecules;...
Abstract: Molecular quantum mechanics relates molecular properties to the motion and interactions of...
The infl uence of the energy denominator shift (EDS) parameter and the quantitative and qualitative ...
Analysis and efficient solution of stationary Schrödinger equation governing electronic state
In the part I: Optimal Transport and Density Functional Theory, we investigate methods to compute th...
Quantum fluid dynamics approach for electronic structure calculation: application to the study of gr...
The approximate analytical bound state solutions of the Schrӧdinger equation for the Frost-Musulin p...
This volume records the lectures given at a NATO Advanced Study Institute on Methods in Computationa...
AbstractFor a nonrelativistic hydrogen atom minimally coupled to the quantized radiation field we co...
The electronic Schrödinger equation plays a fundamental role in molcular physics. It de-scribes the...
International audienceThis chapter describes the theoretical background of the quantum mechanical/mo...
The ground state energy of the hydrogen molecule was numerically analysed using the quantum Monte Ca...
An introduction to the principles of quantum mechanics needed in physical chemistry. Mathematical to...
The nuclear-electronic orbital (NEO) method is a multicomponent approach that allows the quantum mec...
existence of a ground state. 2. Proving existence of a ground state: vacuum overlap, Rellich-Kondrac...
industrial challenges for quantum chemistry; methods to calculate the properties of large molecules;...
Abstract: Molecular quantum mechanics relates molecular properties to the motion and interactions of...
The infl uence of the energy denominator shift (EDS) parameter and the quantitative and qualitative ...
Analysis and efficient solution of stationary Schrödinger equation governing electronic state
In the part I: Optimal Transport and Density Functional Theory, we investigate methods to compute th...
Quantum fluid dynamics approach for electronic structure calculation: application to the study of gr...
The approximate analytical bound state solutions of the Schrӧdinger equation for the Frost-Musulin p...
This volume records the lectures given at a NATO Advanced Study Institute on Methods in Computationa...
AbstractFor a nonrelativistic hydrogen atom minimally coupled to the quantized radiation field we co...
The electronic Schrödinger equation plays a fundamental role in molcular physics. It de-scribes the...
International audienceThis chapter describes the theoretical background of the quantum mechanical/mo...
The ground state energy of the hydrogen molecule was numerically analysed using the quantum Monte Ca...
An introduction to the principles of quantum mechanics needed in physical chemistry. Mathematical to...
The nuclear-electronic orbital (NEO) method is a multicomponent approach that allows the quantum mec...