A general, recursive, and open-ended response code

Analytic cubic and quartic force fields using density-functional theory

(2014) Magnus Ringholm et al.   JOURNAL OF CHEMICAL PHYSICS

Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations

(2012) Trygve Helgaker et al.   CHEMICAL REVIEWS

Gauge-origin independent calculations of Jones birefringence

(2011) Dmitry Shcherbin et al.   JOURNAL OF CHEMICAL PHYSICS

GEN1INT: A unified procedure for the evaluation of one-electron integrals over Gaussian basis functions and their geometric derivatives

(2010) Bin Gao et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Arbitrary-Order Density Functional Response Theory from Automatic Differentiation

(2010) Ulf Ekström et al.   Journal of Chemical Theory and Computation

The ab initio calculation of molecular electric, magnetic and geometric properties

(2010) Radovan Bast et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Relativistic adiabatic time-dependent density functional theory using hybrid functionals and noncollinear spin magnetization

(2009) Radovan Bast et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Performance Optimization of Tensor Contraction Expressions for Many-Body Methods in Quantum Chemistry†

(2009) Albert Hartono et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Analytic ab initio calculations of coherent anti-Stokes Raman scattering (CARS)

(2009) Andreas J. Thorvaldsen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Atomic orbital-based cubic response theory for one-, two-, and four-component relativistic self-consistent field models

(2008) Radovan Bast et al.   CHEMICAL PHYSICS

Hartree-Fock and Kohn-Sham time-dependent response theory in a second-quantization atomic-orbital formalism suitable for linear scaling

(2008) Thomas Kjærgaard et al.   JOURNAL OF CHEMICAL PHYSICS

Efficient elimination of response parameters in molecular property calculations for variational and nonvariational energies

(2008) Kasper Kristensen et al.   JOURNAL OF CHEMICAL PHYSICS

Analytical calculations of frequency-dependent hypermagnetizabilities and Cotton–Mouton constants using London atomic orbitals

(2008) Andreas J. Thorvaldsen et al.   JOURNAL OF CHEMICAL PHYSICS

A density matrix-based quasienergy formulation of the Kohn–Sham density functional response theory using perturbation- and time-dependent basis sets

(2008) Andreas J. Thorvaldsen et al.   JOURNAL OF CHEMICAL PHYSICS

Analytic calculations of nonlinear mixed electric and magnetic frequency-dependent molecular properties using London atomic orbitals: Buckingham birefringence

(2008) Dmitry Shcherbin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS